id	sid	tid	token	lemma	pos
eurjchem-2675	1	1	comprehensive	comprehensive	ADJ
eurjchem-2675	1	2	dft	dft	NOUN
eurjchem-2675	1	3	analysis	analysis	NOUN
eurjchem-2675	1	4	of	of	ADP
eurjchem-2675	1	5	behfo3	behfo3	NOUN
eurjchem-2675	1	6	perovskite	perovskite	NOUN
eurjchem-2675	1	7	:	:	PUNCT
eurjchem-2675	1	8	exploring	explore	VERB
eurjchem-2675	1	9	the	the	DET
eurjchem-2675	1	10	structure	structure	NOUN
eurjchem-2675	1	11	,	,	PUNCT
eurjchem-2675	1	12	mechanical	mechanical	ADJ
eurjchem-2675	1	13	,	,	PUNCT
eurjchem-2675	1	14	thermodynamic	thermodynamic	ADJ
eurjchem-2675	1	15	,	,	PUNCT
eurjchem-2675	1	16	and	and	CCONJ
eurjchem-2675	1	17	optic	optic	ADJ
eurjchem-2675	1	18	properties	property	NOUN
eurjchem-2675	1	19	european	european	ADJ
eurjchem-2675	1	20	journal	journal	PROPN
eurjchem-2675	1	21	of	of	ADP
eurjchem-2675	1	22	chemistry	chemistry	NOUN
eurjchem-2675	1	23	16	16	NUM
eurjchem-2675	1	24	(	(	PUNCT
eurjchem-2675	1	25	3	3	NUM
eurjchem-2675	1	26	)	)	PUNCT
eurjchem-2675	1	27	(	(	PUNCT
eurjchem-2675	1	28	2025	2025	NUM
eurjchem-2675	1	29	)	)	PUNCT
eurjchem-2675	1	30	292	292	NUM
eurjchem-2675	1	31	-	-	SYM
eurjchem-2675	1	32	301	301	NUM
eurjchem-2675	1	33	european	european	ADJ
eurjchem-2675	1	34	journal	journal	PROPN
eurjchem-2675	1	35	of	of	ADP
eurjchem-2675	1	36	chemistry	chemistry	NOUN
eurjchem-2675	1	37	issn	issn	VERB
eurjchem-2675	1	38	2153	2153	NUM
eurjchem-2675	1	39	-	-	SYM
eurjchem-2675	1	40	2249	2249	NUM
eurjchem-2675	1	41	(	(	PUNCT
eurjchem-2675	1	42	print	print	NOUN
eurjchem-2675	1	43	)	)	PUNCT
eurjchem-2675	1	44	/	/	PUNCT
eurjchem-2675	1	45	issn	issn	PROPN
eurjchem-2675	1	46	2153	2153	NUM
eurjchem-2675	1	47	-	-	SYM
eurjchem-2675	1	48	2257	2257	NUM
eurjchem-2675	1	49	(	(	PUNCT
eurjchem-2675	1	50	online	online	ADJ
eurjchem-2675	1	51	)	)	PUNCT
eurjchem-2675	1	52	–	–	PUNCT
eurjchem-2675	1	53	copyright	copyright	NOUN
eurjchem-2675	1	54	©	©	PROPN
eurjchem-2675	1	55	2025	2025	NUM
eurjchem-2675	1	56	the	the	DET
eurjchem-2675	1	57	authors	author	NOUN
eurjchem-2675	1	58	–	–	PUNCT
eurjchem-2675	1	59	atlanta	atlanta	PROPN
eurjchem-2675	1	60	publishing	publishing	PROPN
eurjchem-2675	1	61	house	house	PROPN
eurjchem-2675	1	62	llc	llc	PROPN
eurjchem-2675	1	63	–	–	PUNCT
eurjchem-2675	1	64	printed	print	VERB
eurjchem-2675	1	65	in	in	ADP
eurjchem-2675	1	66	the	the	DET
eurjchem-2675	1	67	usa	usa	PROPN
eurjchem-2675	1	68	.	.	PUNCT
eurjchem-2675	2	1	this	this	DET
eurjchem-2675	2	2	work	work	NOUN
eurjchem-2675	2	3	is	be	AUX
eurjchem-2675	2	4	published	publish	VERB
eurjchem-2675	2	5	and	and	CCONJ
eurjchem-2675	2	6	licensed	license	VERB
eurjchem-2675	2	7	by	by	ADP
eurjchem-2675	2	8	atlanta	atlanta	PROPN
eurjchem-2675	2	9	publishing	publishing	PROPN
eurjchem-2675	2	10	house	house	PROPN
eurjchem-2675	2	11	llc	llc	PROPN
eurjchem-2675	2	12	–	–	PUNCT
eurjchem-2675	2	13	cc	cc	PROPN
eurjchem-2675	2	14	by	by	ADP
eurjchem-2675	2	15	nc	nc	PROPN
eurjchem-2675	2	16	–	–	PUNCT
eurjchem-2675	2	17	some	some	DET
eurjchem-2675	2	18	rights	right	NOUN
eurjchem-2675	2	19	reserved	reserve	VERB
eurjchem-2675	2	20	.	.	PUNCT
eurjchem-2675	3	1	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	PROPN
eurjchem-2675	3	2	european	european	PROPN
eurjchem-2675	3	3	journal	journal	PROPN
eurjchem-2675	3	4	of	of	ADP
eurjchem-2675	3	5	chemistry	chemistry	NOUN
eurjchem-2675	3	6	view	view	NOUN
eurjchem-2675	3	7	journal	journal	PROPN
eurjchem-2675	3	8	online	online	PROPN
eurjchem-2675	3	9	view	view	NOUN
eurjchem-2675	3	10	article	article	NOUN
eurjchem-2675	3	11	online	online	PROPN
eurjchem-2675	4	1	comprehensive	comprehensive	ADJ
eurjchem-2675	4	2	dft	dft	NOUN
eurjchem-2675	4	3	analysis	analysis	NOUN
eurjchem-2675	4	4	of	of	ADP
eurjchem-2675	4	5	behfo3	behfo3	NOUN
eurjchem-2675	4	6	perovskite	perovskite	NOUN
eurjchem-2675	4	7	:	:	PUNCT
eurjchem-2675	4	8	exploring	explore	VERB
eurjchem-2675	4	9	the	the	DET
eurjchem-2675	4	10	structure	structure	NOUN
eurjchem-2675	4	11	,	,	PUNCT
eurjchem-2675	4	12	mechanical	mechanical	ADJ
eurjchem-2675	4	13	,	,	PUNCT
eurjchem-2675	4	14	thermodynamic	thermodynamic	ADJ
eurjchem-2675	4	15	,	,	PUNCT
eurjchem-2675	4	16	and	and	CCONJ
eurjchem-2675	4	17	optic	optic	ADJ
eurjchem-2675	4	18	properties	property	NOUN
eurjchem-2675	4	19	md	md	PROPN
eurjchem-2675	4	20	al	al	PROPN
eurjchem-2675	4	21	masud	masud	PROPN
eurjchem-2675	4	22	1	1	NUM
eurjchem-2675	4	23	,	,	PUNCT
eurjchem-2675	4	24	md	md	PROPN
eurjchem-2675	4	25	.	.	PROPN
eurjchem-2675	4	26	rajib	rajib	PROPN
eurjchem-2675	4	27	munshi	munshi	PROPN
eurjchem-2675	4	28	2	2	NUM
eurjchem-2675	4	29	,	,	PUNCT
eurjchem-2675	4	30	*	*	PUNCT
eurjchem-2675	4	31	,	,	PUNCT
eurjchem-2675	4	32	tanvir	tanvir	PROPN
eurjchem-2675	4	33	chowdhury	chowdhury	PROPN
eurjchem-2675	4	34	3	3	NUM
eurjchem-2675	4	35	,	,	PUNCT
eurjchem-2675	4	36	mita	mita	NOUN
eurjchem-2675	4	37	chakraborty	chakraborty	NOUN
eurjchem-2675	4	38	2	2	NUM
eurjchem-2675	4	39	and	and	CCONJ
eurjchem-2675	4	40	rakibul	rakibul	ADJ
eurjchem-2675	4	41	islam	islam	PROPN
eurjchem-2675	4	42	4	4	NUM
eurjchem-2675	4	43	1	1	NUM
eurjchem-2675	4	44	department	department	NOUN
eurjchem-2675	4	45	of	of	ADP
eurjchem-2675	4	46	industrial	industrial	ADJ
eurjchem-2675	4	47	and	and	CCONJ
eurjchem-2675	4	48	production	production	NOUN
eurjchem-2675	4	49	engineering	engineering	NOUN
eurjchem-2675	4	50	,	,	PUNCT
eurjchem-2675	4	51	faculty	faculty	NOUN
eurjchem-2675	4	52	of	of	ADP
eurjchem-2675	4	53	science	science	NOUN
eurjchem-2675	4	54	and	and	CCONJ
eurjchem-2675	4	55	engineering	engineering	NOUN
eurjchem-2675	4	56	,	,	PUNCT
eurjchem-2675	4	57	european	european	PROPN
eurjchem-2675	4	58	university	university	PROPN
eurjchem-2675	4	59	of	of	ADP
eurjchem-2675	4	60	bangladesh	bangladesh	PROPN
eurjchem-2675	4	61	,	,	PUNCT
eurjchem-2675	4	62	dhaka-1216	dhaka-1216	NOUN
eurjchem-2675	4	63	,	,	PUNCT
eurjchem-2675	4	64	bangladesh	bangladesh	NOUN
eurjchem-2675	4	65	2	2	NUM
eurjchem-2675	4	66	department	department	NOUN
eurjchem-2675	4	67	of	of	ADP
eurjchem-2675	4	68	physics	physics	PROPN
eurjchem-2675	4	69	,	,	PUNCT
eurjchem-2675	4	70	faculty	faculty	NOUN
eurjchem-2675	4	71	of	of	ADP
eurjchem-2675	4	72	science	science	NOUN
eurjchem-2675	4	73	and	and	CCONJ
eurjchem-2675	4	74	engineering	engineering	NOUN
eurjchem-2675	4	75	,	,	PUNCT
eurjchem-2675	4	76	european	european	PROPN
eurjchem-2675	4	77	university	university	PROPN
eurjchem-2675	4	78	of	of	ADP
eurjchem-2675	4	79	bangladesh	bangladesh	PROPN
eurjchem-2675	4	80	,	,	PUNCT
eurjchem-2675	4	81	dhaka-1216	dhaka-1216	NOUN
eurjchem-2675	4	82	,	,	PUNCT
eurjchem-2675	4	83	bangladesh	bangladesh	NOUN
eurjchem-2675	4	84	3	3	NUM
eurjchem-2675	4	85	department	department	NOUN
eurjchem-2675	4	86	of	of	ADP
eurjchem-2675	4	87	applied	applied	ADJ
eurjchem-2675	4	88	physics	physics	NOUN
eurjchem-2675	4	89	and	and	CCONJ
eurjchem-2675	4	90	electronics	electronic	NOUN
eurjchem-2675	4	91	,	,	PUNCT
eurjchem-2675	4	92	faculty	faculty	NOUN
eurjchem-2675	4	93	of	of	ADP
eurjchem-2675	4	94	science	science	NOUN
eurjchem-2675	4	95	and	and	CCONJ
eurjchem-2675	4	96	engineering	engineering	NOUN
eurjchem-2675	4	97	,	,	PUNCT
eurjchem-2675	4	98	jahangirnagar	jahangirnagar	PROPN
eurjchem-2675	4	99	university	university	PROPN
eurjchem-2675	4	100	,	,	PUNCT
eurjchem-2675	4	101	savar	savar	NOUN
eurjchem-2675	4	102	,	,	PUNCT
eurjchem-2675	4	103	dhaka	dhaka	PROPN
eurjchem-2675	4	104	-1342	-1342	PROPN
eurjchem-2675	4	105	,	,	PUNCT
eurjchem-2675	4	106	bangladesh	bangladesh	NOUN
eurjchem-2675	4	107	4	4	NUM
eurjchem-2675	4	108	department	department	NOUN
eurjchem-2675	4	109	of	of	ADP
eurjchem-2675	4	110	controller	controller	NOUN
eurjchem-2675	4	111	of	of	ADP
eurjchem-2675	4	112	examinations	examination	NOUN
eurjchem-2675	4	113	,	,	PUNCT
eurjchem-2675	4	114	european	european	PROPN
eurjchem-2675	4	115	university	university	PROPN
eurjchem-2675	4	116	of	of	ADP
eurjchem-2675	4	117	bangladesh	bangladesh	PROPN
eurjchem-2675	4	118	,	,	PUNCT
eurjchem-2675	4	119	dhaka-1216	dhaka-1216	NOUN
eurjchem-2675	4	120	,	,	PUNCT
eurjchem-2675	4	121	bangladesh	bangladesh	NOUN
eurjchem-2675	4	122	*	*	PUNCT
eurjchem-2675	4	123	corresponding	correspond	VERB
eurjchem-2675	4	124	author	author	NOUN
eurjchem-2675	4	125	at	at	ADP
eurjchem-2675	4	126	:	:	PUNCT
eurjchem-2675	4	127	department	department	NOUN
eurjchem-2675	4	128	of	of	ADP
eurjchem-2675	4	129	physics	physics	PROPN
eurjchem-2675	4	130	,	,	PUNCT
eurjchem-2675	4	131	faculty	faculty	NOUN
eurjchem-2675	4	132	of	of	ADP
eurjchem-2675	4	133	science	science	NOUN
eurjchem-2675	4	134	and	and	CCONJ
eurjchem-2675	4	135	engineering	engineering	NOUN
eurjchem-2675	4	136	,	,	PUNCT
eurjchem-2675	4	137	european	european	PROPN
eurjchem-2675	4	138	university	university	PROPN
eurjchem-2675	4	139	of	of	ADP
eurjchem-2675	4	140	bangladesh	bangladesh	PROPN
eurjchem-2675	4	141	,	,	PUNCT
eurjchem-2675	4	142	dhaka-1216	dhaka-1216	NOUN
eurjchem-2675	4	143	,	,	PUNCT
eurjchem-2675	4	144	bangladesh	bangladesh	NOUN
eurjchem-2675	4	145	.	.	PUNCT
eurjchem-2675	5	1	e	e	X
eurjchem-2675	5	2	-	-	NOUN
eurjchem-2675	5	3	mail	mail	NOUN
eurjchem-2675	5	4	:	:	PUNCT
eurjchem-2675	6	1	razibmunshi@eub.edu.bd	razibmunshi@eub.edu.bd	ADJ
eurjchem-2675	6	2	(	(	PUNCT
eurjchem-2675	6	3	m.r	m.r	PROPN
eurjchem-2675	6	4	.	.	PROPN
eurjchem-2675	6	5	munshi	munshi	PROPN
eurjchem-2675	6	6	)	)	PUNCT
eurjchem-2675	6	7	.	.	PUNCT
eurjchem-2675	7	1	10.5155	10.5155	NUM
eurjchem-2675	7	2	/	/	SYM
eurjchem-2675	7	3	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	7	4	-	-	SYM
eurjchem-2675	7	5	301.2675	301.2675	NUM
eurjchem-2675	7	6	received	receive	VERB
eurjchem-2675	7	7	:	:	PUNCT
eurjchem-2675	7	8	24	24	NUM
eurjchem-2675	7	9	february	february	NOUN
eurjchem-2675	7	10	2025	2025	NUM
eurjchem-2675	7	11	received	receive	VERB
eurjchem-2675	7	12	in	in	ADP
eurjchem-2675	7	13	revised	revise	VERB
eurjchem-2675	7	14	form	form	NOUN
eurjchem-2675	7	15	:	:	PUNCT
eurjchem-2675	7	16	1	1	NUM
eurjchem-2675	7	17	june	june	PROPN
eurjchem-2675	7	18	2025	2025	NUM
eurjchem-2675	7	19	accepted	accept	VERB
eurjchem-2675	7	20	:	:	PUNCT
eurjchem-2675	7	21	29	29	NUM
eurjchem-2675	7	22	june	june	PROPN
eurjchem-2675	7	23	2025	2025	NUM
eurjchem-2675	7	24	published	publish	VERB
eurjchem-2675	7	25	online	online	ADV
eurjchem-2675	7	26	:	:	PUNCT
eurjchem-2675	7	27	30	30	NUM
eurjchem-2675	7	28	september	september	PROPN
eurjchem-2675	7	29	2025	2025	NUM
eurjchem-2675	7	30	printed	print	VERB
eurjchem-2675	7	31	:	:	PUNCT
eurjchem-2675	7	32	30	30	NUM
eurjchem-2675	7	33	september	september	PROPN
eurjchem-2675	7	34	2025	2025	NUM
eurjchem-2675	7	35	we	we	PRON
eurjchem-2675	7	36	performed	perform	VERB
eurjchem-2675	7	37	a	a	DET
eurjchem-2675	7	38	thorough	thorough	ADJ
eurjchem-2675	7	39	study	study	NOUN
eurjchem-2675	7	40	of	of	ADP
eurjchem-2675	7	41	the	the	DET
eurjchem-2675	7	42	electronic	electronic	ADJ
eurjchem-2675	7	43	,	,	PUNCT
eurjchem-2675	7	44	mechanical	mechanical	ADJ
eurjchem-2675	7	45	,	,	PUNCT
eurjchem-2675	7	46	thermodynamic	thermodynamic	ADJ
eurjchem-2675	7	47	,	,	PUNCT
eurjchem-2675	7	48	and	and	CCONJ
eurjchem-2675	7	49	optical	optical	ADJ
eurjchem-2675	7	50	properties	property	NOUN
eurjchem-2675	7	51	of	of	ADP
eurjchem-2675	7	52	the	the	DET
eurjchem-2675	7	53	behfo3	behfo3	NOUN
eurjchem-2675	7	54	perovskite	perovskite	NOUN
eurjchem-2675	7	55	crystal	crystal	NOUN
eurjchem-2675	7	56	using	use	VERB
eurjchem-2675	7	57	first	first	ADJ
eurjchem-2675	7	58	-	-	PUNCT
eurjchem-2675	7	59	principles	principle	NOUN
eurjchem-2675	7	60	calculations	calculation	NOUN
eurjchem-2675	7	61	featuring	feature	VERB
eurjchem-2675	7	62	density	density	NOUN
eurjchem-2675	7	63	functional	functional	ADJ
eurjchem-2675	7	64	theory	theory	NOUN
eurjchem-2675	7	65	(	(	PUNCT
eurjchem-2675	7	66	dft	dft	PROPN
eurjchem-2675	7	67	)	)	PUNCT
eurjchem-2675	7	68	.	.	PUNCT
eurjchem-2675	8	1	electronic	electronic	ADJ
eurjchem-2675	8	2	band	band	NOUN
eurjchem-2675	8	3	structure	structure	NOUN
eurjchem-2675	8	4	analysis	analysis	NOUN
eurjchem-2675	8	5	manifested	manifest	VERB
eurjchem-2675	8	6	the	the	DET
eurjchem-2675	8	7	material	material	NOUN
eurjchem-2675	8	8	to	to	PART
eurjchem-2675	8	9	be	be	AUX
eurjchem-2675	8	10	semiconducting	semiconducte	VERB
eurjchem-2675	8	11	in	in	ADP
eurjchem-2675	8	12	nature	nature	NOUN
eurjchem-2675	8	13	with	with	ADP
eurjchem-2675	8	14	calculated	calculate	VERB
eurjchem-2675	8	15	band	band	NOUN
eurjchem-2675	8	16	gap	gap	NOUN
eurjchem-2675	8	17	values	value	NOUN
eurjchem-2675	8	18	of	of	ADP
eurjchem-2675	8	19	0.873	0.873	NUM
eurjchem-2675	8	20	ev	ev	PROPN
eurjchem-2675	8	21	(	(	PUNCT
eurjchem-2675	8	22	pbe	pbe	PROPN
eurjchem-2675	8	23	)	)	PUNCT
eurjchem-2675	8	24	,	,	PUNCT
eurjchem-2675	8	25	0.887	0.887	NUM
eurjchem-2675	8	26	ev	ev	X
eurjchem-2675	8	27	(	(	PUNCT
eurjchem-2675	8	28	rpbe	rpbe	PROPN
eurjchem-2675	8	29	)	)	PUNCT
eurjchem-2675	8	30	,	,	PUNCT
eurjchem-2675	8	31	0.781	0.781	NUM
eurjchem-2675	8	32	ev	ev	X
eurjchem-2675	8	33	(	(	PUNCT
eurjchem-2675	8	34	pbesol	pbesol	NOUN
eurjchem-2675	8	35	)	)	PUNCT
eurjchem-2675	8	36	,	,	PUNCT
eurjchem-2675	8	37	0.890	0.890	PRON
eurjchem-2675	8	38	ev	ev	X
eurjchem-2675	8	39	(	(	PUNCT
eurjchem-2675	8	40	lda	lda	PROPN
eurjchem-2675	8	41	)	)	PUNCT
eurjchem-2675	8	42	,	,	PUNCT
eurjchem-2675	8	43	1.71	1.71	NUM
eurjchem-2675	8	44	ev	ev	X
eurjchem-2675	8	45	(	(	PUNCT
eurjchem-2675	8	46	hse06	hse06	PROPN
eurjchem-2675	8	47	)	)	PUNCT
eurjchem-2675	8	48	and	and	CCONJ
eurjchem-2675	8	49	2.925	2.925	NUM
eurjchem-2675	8	50	ev	ev	PROPN
eurjchem-2675	8	51	(	(	PUNCT
eurjchem-2675	8	52	b3lyp	b3lyp	NUM
eurjchem-2675	8	53	)	)	PUNCT
eurjchem-2675	8	54	,	,	PUNCT
eurjchem-2675	8	55	reflecting	reflect	VERB
eurjchem-2675	8	56	considerable	considerable	ADJ
eurjchem-2675	8	57	uncertainty	uncertainty	NOUN
eurjchem-2675	8	58	in	in	ADP
eurjchem-2675	8	59	terms	term	NOUN
eurjchem-2675	8	60	of	of	ADP
eurjchem-2675	8	61	exchange	exchange	NOUN
eurjchem-2675	8	62	-	-	PUNCT
eurjchem-2675	8	63	correlation	correlation	NOUN
eurjchem-2675	8	64	functionals	functional	NOUN
eurjchem-2675	8	65	and	and	CCONJ
eurjchem-2675	8	66	emphasizing	emphasize	VERB
eurjchem-2675	8	67	the	the	DET
eurjchem-2675	8	68	utility	utility	NOUN
eurjchem-2675	8	69	of	of	ADP
eurjchem-2675	8	70	hybrid	hybrid	ADJ
eurjchem-2675	8	71	functionals	functional	NOUN
eurjchem-2675	8	72	in	in	ADP
eurjchem-2675	8	73	estimating	estimate	VERB
eurjchem-2675	8	74	the	the	DET
eurjchem-2675	8	75	band	band	NOUN
eurjchem-2675	8	76	gap	gap	NOUN
eurjchem-2675	8	77	.	.	PUNCT
eurjchem-2675	9	1	density	density	NOUN
eurjchem-2675	9	2	of	of	ADP
eurjchem-2675	9	3	states	state	NOUN
eurjchem-2675	9	4	(	(	PUNCT
eurjchem-2675	9	5	dos	dos	PROPN
eurjchem-2675	9	6	)	)	PUNCT
eurjchem-2675	9	7	and	and	CCONJ
eurjchem-2675	9	8	partial	partial	ADJ
eurjchem-2675	9	9	density	density	NOUN
eurjchem-2675	9	10	of	of	ADP
eurjchem-2675	9	11	states	state	NOUN
eurjchem-2675	9	12	(	(	PUNCT
eurjchem-2675	9	13	pdos	pdo	NOUN
eurjchem-2675	9	14	)	)	PUNCT
eurjchem-2675	9	15	analyses	analysis	NOUN
eurjchem-2675	9	16	were	be	AUX
eurjchem-2675	9	17	vital	vital	ADJ
eurjchem-2675	9	18	in	in	ADP
eurjchem-2675	9	19	revealing	reveal	VERB
eurjchem-2675	9	20	the	the	DET
eurjchem-2675	9	21	role	role	NOUN
eurjchem-2675	9	22	of	of	ADP
eurjchem-2675	9	23	the	the	DET
eurjchem-2675	9	24	participating	participate	VERB
eurjchem-2675	9	25	atoms	atom	NOUN
eurjchem-2675	9	26	(	(	PUNCT
eurjchem-2675	9	27	be	be	AUX
eurjchem-2675	9	28	,	,	PUNCT
eurjchem-2675	9	29	hf	hf	INTJ
eurjchem-2675	9	30	,	,	PUNCT
eurjchem-2675	9	31	and	and	CCONJ
eurjchem-2675	9	32	o	o	NOUN
eurjchem-2675	9	33	)	)	PUNCT
eurjchem-2675	9	34	in	in	ADP
eurjchem-2675	9	35	electronic	electronic	ADJ
eurjchem-2675	9	36	contribution	contribution	NOUN
eurjchem-2675	9	37	,	,	PUNCT
eurjchem-2675	9	38	orbital	orbital	ADJ
eurjchem-2675	9	39	hybridization	hybridization	NOUN
eurjchem-2675	9	40	,	,	PUNCT
eurjchem-2675	9	41	and	and	CCONJ
eurjchem-2675	9	42	the	the	DET
eurjchem-2675	9	43	major	major	ADJ
eurjchem-2675	9	44	states	state	NOUN
eurjchem-2675	9	45	close	close	ADJ
eurjchem-2675	9	46	to	to	ADP
eurjchem-2675	9	47	the	the	DET
eurjchem-2675	9	48	fermi	fermi	NOUN
eurjchem-2675	9	49	level	level	NOUN
eurjchem-2675	9	50	,	,	PUNCT
eurjchem-2675	9	51	highlighting	highlight	VERB
eurjchem-2675	9	52	the	the	DET
eurjchem-2675	9	53	dominant	dominant	ADJ
eurjchem-2675	9	54	states	state	NOUN
eurjchem-2675	9	55	near	near	ADP
eurjchem-2675	9	56	the	the	DET
eurjchem-2675	9	57	fermi	fermi	NOUN
eurjchem-2675	9	58	level	level	NOUN
eurjchem-2675	9	59	and	and	CCONJ
eurjchem-2675	9	60	the	the	DET
eurjchem-2675	9	61	role	role	NOUN
eurjchem-2675	9	62	played	play	VERB
eurjchem-2675	9	63	by	by	ADP
eurjchem-2675	9	64	them	they	PRON
eurjchem-2675	9	65	in	in	ADP
eurjchem-2675	9	66	bonding	bonding	NOUN
eurjchem-2675	9	67	.	.	PUNCT
eurjchem-2675	10	1	the	the	DET
eurjchem-2675	10	2	mulliken	mulliken	ADJ
eurjchem-2675	10	3	population	population	NOUN
eurjchem-2675	10	4	analysis	analysis	NOUN
eurjchem-2675	10	5	also	also	ADV
eurjchem-2675	10	6	described	describe	VERB
eurjchem-2675	10	7	the	the	DET
eurjchem-2675	10	8	electrostatic	electrostatic	ADJ
eurjchem-2675	10	9	interaction	interaction	NOUN
eurjchem-2675	10	10	and	and	CCONJ
eurjchem-2675	10	11	charge	charge	NOUN
eurjchem-2675	10	12	reorganization	reorganization	NOUN
eurjchem-2675	10	13	,	,	PUNCT
eurjchem-2675	10	14	confirming	confirm	VERB
eurjchem-2675	10	15	the	the	DET
eurjchem-2675	10	16	mixed	mixed	ADJ
eurjchem-2675	10	17	ionic	ionic	ADJ
eurjchem-2675	10	18	-	-	PUNCT
eurjchem-2675	10	19	covalent	covalent	NOUN
eurjchem-2675	10	20	nature	nature	NOUN
eurjchem-2675	10	21	of	of	ADP
eurjchem-2675	10	22	the	the	DET
eurjchem-2675	10	23	bonds	bond	NOUN
eurjchem-2675	10	24	and	and	CCONJ
eurjchem-2675	10	25	revealing	reveal	VERB
eurjchem-2675	10	26	the	the	DET
eurjchem-2675	10	27	complexity	complexity	NOUN
eurjchem-2675	10	28	in	in	ADP
eurjchem-2675	10	29	the	the	DET
eurjchem-2675	10	30	nature	nature	NOUN
eurjchem-2675	10	31	of	of	ADP
eurjchem-2675	10	32	bonds	bond	NOUN
eurjchem-2675	10	33	in	in	ADP
eurjchem-2675	10	34	the	the	DET
eurjchem-2675	10	35	behfo3	behfo3	NOUN
eurjchem-2675	10	36	lattice	lattice	PROPN
eurjchem-2675	10	37	.	.	PUNCT
eurjchem-2675	11	1	mechanical	mechanical	ADJ
eurjchem-2675	11	2	stability	stability	NOUN
eurjchem-2675	11	3	was	be	AUX
eurjchem-2675	11	4	thoroughly	thoroughly	ADV
eurjchem-2675	11	5	analyzed	analyze	VERB
eurjchem-2675	11	6	using	use	VERB
eurjchem-2675	11	7	the	the	DET
eurjchem-2675	11	8	born	bear	VERB
eurjchem-2675	11	9	mechanical	mechanical	ADJ
eurjchem-2675	11	10	stability	stability	NOUN
eurjchem-2675	11	11	criteria	criterion	NOUN
eurjchem-2675	11	12	(	(	PUNCT
eurjchem-2675	11	13	bms	bms	PROPN
eurjchem-2675	11	14	)	)	PUNCT
eurjchem-2675	11	15	which	which	PRON
eurjchem-2675	11	16	validated	validate	VERB
eurjchem-2675	11	17	the	the	DET
eurjchem-2675	11	18	mechanical	mechanical	ADJ
eurjchem-2675	11	19	stability	stability	NOUN
eurjchem-2675	11	20	of	of	ADP
eurjchem-2675	11	21	the	the	DET
eurjchem-2675	11	22	compound	compound	NOUN
eurjchem-2675	11	23	.	.	PUNCT
eurjchem-2675	12	1	the	the	DET
eurjchem-2675	12	2	calculation	calculation	NOUN
eurjchem-2675	12	3	of	of	ADP
eurjchem-2675	12	4	the	the	DET
eurjchem-2675	12	5	elastic	elastic	ADJ
eurjchem-2675	12	6	constants	constant	NOUN
eurjchem-2675	12	7	helped	help	VERB
eurjchem-2675	12	8	to	to	PART
eurjchem-2675	12	9	establish	establish	VERB
eurjchem-2675	12	10	poisson	poisson	PROPN
eurjchem-2675	12	11	’s	’s	PART
eurjchem-2675	12	12	ratio	ratio	NOUN
eurjchem-2675	12	13	and	and	CCONJ
eurjchem-2675	12	14	pugh	pugh	PROPN
eurjchem-2675	12	15	’s	’s	PART
eurjchem-2675	12	16	modulus	modulus	ADJ
eurjchem-2675	12	17	ratio	ratio	NOUN
eurjchem-2675	12	18	(	(	PUNCT
eurjchem-2675	12	19	b	b	NOUN
eurjchem-2675	12	20	/	/	SYM
eurjchem-2675	12	21	g	g	NOUN
eurjchem-2675	12	22	)	)	PUNCT
eurjchem-2675	12	23	to	to	PART
eurjchem-2675	12	24	confirm	confirm	VERB
eurjchem-2675	12	25	the	the	DET
eurjchem-2675	12	26	mechanical	mechanical	ADJ
eurjchem-2675	12	27	strength	strength	NOUN
eurjchem-2675	12	28	and	and	CCONJ
eurjchem-2675	12	29	ductility	ductility	NOUN
eurjchem-2675	12	30	of	of	ADP
eurjchem-2675	12	31	the	the	DET
eurjchem-2675	12	32	compound	compound	NOUN
eurjchem-2675	12	33	along	along	ADP
eurjchem-2675	12	34	with	with	ADP
eurjchem-2675	12	35	the	the	DET
eurjchem-2675	12	36	pronounced	pronounced	ADJ
eurjchem-2675	12	37	anisotropy	anisotropy	NOUN
eurjchem-2675	12	38	in	in	ADP
eurjchem-2675	12	39	the	the	DET
eurjchem-2675	12	40	elastic	elastic	ADJ
eurjchem-2675	12	41	properties	property	NOUN
eurjchem-2675	12	42	,	,	PUNCT
eurjchem-2675	12	43	which	which	PRON
eurjchem-2675	12	44	could	could	AUX
eurjchem-2675	12	45	be	be	AUX
eurjchem-2675	12	46	valuable	valuable	ADJ
eurjchem-2675	12	47	in	in	ADP
eurjchem-2675	12	48	applications	application	NOUN
eurjchem-2675	12	49	requiring	require	VERB
eurjchem-2675	12	50	directional	directional	ADJ
eurjchem-2675	12	51	devices	device	NOUN
eurjchem-2675	12	52	.	.	PUNCT
eurjchem-2675	13	1	the	the	DET
eurjchem-2675	13	2	calculation	calculation	NOUN
eurjchem-2675	13	3	of	of	ADP
eurjchem-2675	13	4	the	the	DET
eurjchem-2675	13	5	optical	optical	ADJ
eurjchem-2675	13	6	properties	property	NOUN
eurjchem-2675	13	7	in	in	ADP
eurjchem-2675	13	8	terms	term	NOUN
eurjchem-2675	13	9	of	of	ADP
eurjchem-2675	13	10	the	the	DET
eurjchem-2675	13	11	frequencydependent	frequencydependent	ADJ
eurjchem-2675	13	12	dielectric	dielectric	NOUN
eurjchem-2675	13	13	functions	function	NOUN
eurjchem-2675	13	14	and	and	CCONJ
eurjchem-2675	13	15	the	the	DET
eurjchem-2675	13	16	absorption	absorption	NOUN
eurjchem-2675	13	17	coefficients	coefficient	NOUN
eurjchem-2675	13	18	using	use	VERB
eurjchem-2675	13	19	different	different	ADJ
eurjchem-2675	13	20	dft	dft	PROPN
eurjchem-2675	13	21	approaches	approach	NOUN
eurjchem-2675	13	22	proved	prove	VERB
eurjchem-2675	13	23	the	the	DET
eurjchem-2675	13	24	material	material	NOUN
eurjchem-2675	13	25	to	to	PART
eurjchem-2675	13	26	be	be	AUX
eurjchem-2675	13	27	a	a	DET
eurjchem-2675	13	28	powerful	powerful	ADJ
eurjchem-2675	13	29	absorber	absorber	NOUN
eurjchem-2675	13	30	in	in	ADP
eurjchem-2675	13	31	both	both	CCONJ
eurjchem-2675	13	32	the	the	DET
eurjchem-2675	13	33	ultraviolet	ultraviolet	NOUN
eurjchem-2675	13	34	(	(	PUNCT
eurjchem-2675	13	35	uv	uv	NOUN
eurjchem-2675	13	36	)	)	PUNCT
eurjchem-2675	13	37	and	and	CCONJ
eurjchem-2675	13	38	visible	visible	ADJ
eurjchem-2675	13	39	parts	part	NOUN
eurjchem-2675	13	40	of	of	ADP
eurjchem-2675	13	41	the	the	DET
eurjchem-2675	13	42	spectrum	spectrum	NOUN
eurjchem-2675	13	43	,	,	PUNCT
eurjchem-2675	13	44	which	which	PRON
eurjchem-2675	13	45	establishes	establish	VERB
eurjchem-2675	13	46	the	the	DET
eurjchem-2675	13	47	material	material	NOUN
eurjchem-2675	13	48	as	as	ADP
eurjchem-2675	13	49	a	a	DET
eurjchem-2675	13	50	valuable	valuable	ADJ
eurjchem-2675	13	51	contender	contender	NOUN
eurjchem-2675	13	52	in	in	ADP
eurjchem-2675	13	53	the	the	DET
eurjchem-2675	13	54	field	field	NOUN
eurjchem-2675	13	55	of	of	ADP
eurjchem-2675	13	56	optoelectronic	optoelectronic	ADJ
eurjchem-2675	13	57	and	and	CCONJ
eurjchem-2675	13	58	photocatalytic	photocatalytic	ADJ
eurjchem-2675	13	59	technology	technology	NOUN
eurjchem-2675	13	60	.	.	PUNCT
eurjchem-2675	14	1	elastic	elastic	ADJ
eurjchem-2675	14	2	optical	optical	ADJ
eurjchem-2675	14	3	structural	structural	ADJ
eurjchem-2675	14	4	electronic	electronic	ADJ
eurjchem-2675	14	5	absorption	absorption	NOUN
eurjchem-2675	14	6	photocatalyst	photocatalyst	NOUN
eurjchem-2675	14	7	cite	cite	VERB
eurjchem-2675	14	8	this	this	PRON
eurjchem-2675	14	9	:	:	PUNCT
eurjchem-2675	14	10	eur	eur	PROPN
eurjchem-2675	14	11	.	.	PUNCT
eurjchem-2675	15	1	j.	j.	PROPN
eurjchem-2675	15	2	chem	chem	PROPN
eurjchem-2675	15	3	.	.	PUNCT
eurjchem-2675	16	1	2025	2025	NUM
eurjchem-2675	16	2	,	,	PUNCT
eurjchem-2675	16	3	16(3	16(3	NOUN
eurjchem-2675	16	4	)	)	PUNCT
eurjchem-2675	16	5	,	,	PUNCT
eurjchem-2675	16	6	292	292	NUM
eurjchem-2675	16	7	-	-	SYM
eurjchem-2675	16	8	301	301	NUM
eurjchem-2675	16	9	journal	journal	NOUN
eurjchem-2675	16	10	website	website	NOUN
eurjchem-2675	16	11	:	:	PUNCT
eurjchem-2675	16	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2675	16	13	1	1	X
eurjchem-2675	16	14	.	.	X
eurjchem-2675	16	15	introduction	introduction	NOUN
eurjchem-2675	16	16	the	the	DET
eurjchem-2675	16	17	investigation	investigation	NOUN
eurjchem-2675	16	18	and	and	CCONJ
eurjchem-2675	16	19	identification	identification	NOUN
eurjchem-2675	16	20	of	of	ADP
eurjchem-2675	16	21	semiconductor	semiconductor	NOUN
eurjchem-2675	16	22	materials	material	NOUN
eurjchem-2675	16	23	with	with	ADP
eurjchem-2675	16	24	innovative	innovative	ADJ
eurjchem-2675	16	25	and	and	CCONJ
eurjchem-2675	16	26	unexplored	unexplored	ADJ
eurjchem-2675	16	27	characteristics	characteristic	NOUN
eurjchem-2675	16	28	have	have	AUX
eurjchem-2675	16	29	been	be	AUX
eurjchem-2675	16	30	propelled	propel	VERB
eurjchem-2675	16	31	by	by	ADP
eurjchem-2675	16	32	the	the	DET
eurjchem-2675	16	33	growing	grow	VERB
eurjchem-2675	16	34	necessity	necessity	NOUN
eurjchem-2675	16	35	to	to	PART
eurjchem-2675	16	36	commercialize	commercialize	VERB
eurjchem-2675	16	37	breakthrough	breakthrough	NOUN
eurjchem-2675	16	38	technology	technology	NOUN
eurjchem-2675	16	39	.	.	PUNCT
eurjchem-2675	17	1	numerous	numerous	ADJ
eurjchem-2675	17	2	materials	material	NOUN
eurjchem-2675	17	3	that	that	PRON
eurjchem-2675	17	4	had	have	AUX
eurjchem-2675	17	5	been	be	AUX
eurjchem-2675	17	6	neglected	neglect	VERB
eurjchem-2675	17	7	until	until	ADP
eurjchem-2675	17	8	recently	recently	ADV
eurjchem-2675	17	9	after	after	SCONJ
eurjchem-2675	17	10	discovery	discovery	NOUN
eurjchem-2675	17	11	are	be	AUX
eurjchem-2675	17	12	now	now	ADV
eurjchem-2675	17	13	receiving	receive	VERB
eurjchem-2675	17	14	renewed	renew	VERB
eurjchem-2675	17	15	attention	attention	NOUN
eurjchem-2675	17	16	due	due	ADP
eurjchem-2675	17	17	to	to	ADP
eurjchem-2675	17	18	their	their	PRON
eurjchem-2675	17	19	potential	potential	ADJ
eurjchem-2675	17	20	practical	practical	ADJ
eurjchem-2675	17	21	uses	use	NOUN
eurjchem-2675	17	22	[	[	X
eurjchem-2675	17	23	1,2	1,2	NUM
eurjchem-2675	17	24	]	]	PUNCT
eurjchem-2675	17	25	.	.	PUNCT
eurjchem-2675	18	1	oxide	oxide	NOUN
eurjchem-2675	18	2	-	-	PUNCT
eurjchem-2675	18	3	based	base	VERB
eurjchem-2675	18	4	compounds	compound	NOUN
eurjchem-2675	18	5	have	have	VERB
eurjchem-2675	18	6	a	a	DET
eurjchem-2675	18	7	broad	broad	ADJ
eurjchem-2675	18	8	range	range	NOUN
eurjchem-2675	18	9	of	of	ADP
eurjchem-2675	18	10	characteristics	characteristic	NOUN
eurjchem-2675	18	11	and	and	CCONJ
eurjchem-2675	18	12	are	be	AUX
eurjchem-2675	18	13	promising	promise	VERB
eurjchem-2675	18	14	for	for	ADP
eurjchem-2675	18	15	several	several	ADJ
eurjchem-2675	18	16	technical	technical	ADJ
eurjchem-2675	18	17	applications	application	NOUN
eurjchem-2675	18	18	,	,	PUNCT
eurjchem-2675	18	19	including	include	VERB
eurjchem-2675	18	20	refractory	refractory	NOUN
eurjchem-2675	18	21	ceramics	ceramic	NOUN
eurjchem-2675	18	22	,	,	PUNCT
eurjchem-2675	18	23	superconductors	superconductor	NOUN
eurjchem-2675	18	24	,	,	PUNCT
eurjchem-2675	18	25	ferroelectrics	ferroelectric	NOUN
eurjchem-2675	18	26	,	,	PUNCT
eurjchem-2675	18	27	and	and	CCONJ
eurjchem-2675	18	28	solar	solar	ADJ
eurjchem-2675	18	29	energy	energy	NOUN
eurjchem-2675	18	30	materials	material	NOUN
eurjchem-2675	18	31	.	.	PUNCT
eurjchem-2675	19	1	their	their	PRON
eurjchem-2675	19	2	applications	application	NOUN
eurjchem-2675	19	3	include	include	VERB
eurjchem-2675	19	4	solid	solid	ADJ
eurjchem-2675	19	5	oxide	oxide	NOUN
eurjchem-2675	19	6	fuel	fuel	NOUN
eurjchem-2675	19	7	cells	cell	NOUN
eurjchem-2675	19	8	,	,	PUNCT
eurjchem-2675	19	9	sensors	sensor	NOUN
eurjchem-2675	19	10	,	,	PUNCT
eurjchem-2675	19	11	random	random	ADJ
eurjchem-2675	19	12	access	access	NOUN
eurjchem-2675	19	13	memory	memory	NOUN
eurjchem-2675	19	14	,	,	PUNCT
eurjchem-2675	19	15	high	high	ADJ
eurjchem-2675	19	16	-	-	PUNCT
eurjchem-2675	19	17	density	density	NOUN
eurjchem-2675	19	18	capacitors	capacitor	NOUN
eurjchem-2675	19	19	,	,	PUNCT
eurjchem-2675	19	20	catalysts	catalyst	NOUN
eurjchem-2675	19	21	,	,	PUNCT
eurjchem-2675	19	22	magnets	magnet	NOUN
eurjchem-2675	19	23	,	,	PUNCT
eurjchem-2675	19	24	and	and	CCONJ
eurjchem-2675	19	25	high	high	ADJ
eurjchem-2675	19	26	k	k	PROPN
eurjchem-2675	19	27	dielectrics	dielectric	NOUN
eurjchem-2675	19	28	[	[	X
eurjchem-2675	19	29	3	3	NUM
eurjchem-2675	19	30	-	-	SYM
eurjchem-2675	19	31	5	5	NUM
eurjchem-2675	19	32	]	]	PUNCT
eurjchem-2675	19	33	.	.	PUNCT
eurjchem-2675	20	1	behfo3	behfo3	PROPN
eurjchem-2675	20	2	has	have	AUX
eurjchem-2675	20	3	been	be	AUX
eurjchem-2675	20	4	proven	prove	VERB
eurjchem-2675	20	5	to	to	PART
eurjchem-2675	20	6	be	be	AUX
eurjchem-2675	20	7	effective	effective	ADJ
eurjchem-2675	20	8	as	as	ADP
eurjchem-2675	20	9	a	a	DET
eurjchem-2675	20	10	ceramic	ceramic	ADJ
eurjchem-2675	20	11	substrate	substrate	NOUN
eurjchem-2675	20	12	of	of	ADP
eurjchem-2675	20	13	high	high	ADJ
eurjchem-2675	20	14	k	k	PROPN
eurjchem-2675	20	15	dielectric	dielectric	ADJ
eurjchem-2675	20	16	capacitor	capacitor	NOUN
eurjchem-2675	20	17	,	,	PUNCT
eurjchem-2675	20	18	thermal	thermal	ADJ
eurjchem-2675	20	19	insulator	insulator	NOUN
eurjchem-2675	20	20	and	and	CCONJ
eurjchem-2675	20	21	scintillator	scintillator	NOUN
eurjchem-2675	20	22	in	in	ADP
eurjchem-2675	20	23	rapid	rapid	ADJ
eurjchem-2675	20	24	response	response	NOUN
eurjchem-2675	20	25	detectors	detector	NOUN
eurjchem-2675	20	26	,	,	PUNCT
eurjchem-2675	20	27	attributed	attribute	VERB
eurjchem-2675	20	28	to	to	ADP
eurjchem-2675	20	29	its	its	PRON
eurjchem-2675	20	30	solid	solid	ADJ
eurjchem-2675	20	31	phase	phase	NOUN
eurjchem-2675	20	32	stability	stability	NOUN
eurjchem-2675	20	33	,	,	PUNCT
eurjchem-2675	20	34	elevated	elevated	ADJ
eurjchem-2675	20	35	melting	melting	NOUN
eurjchem-2675	20	36	point	point	NOUN
eurjchem-2675	20	37	,	,	PUNCT
eurjchem-2675	20	38	high	high	ADJ
eurjchem-2675	20	39	thermal	thermal	ADJ
eurjchem-2675	20	40	expansion	expansion	NOUN
eurjchem-2675	20	41	coefficient	coefficient	NOUN
eurjchem-2675	20	42	,	,	PUNCT
eurjchem-2675	20	43	low	low	ADJ
eurjchem-2675	20	44	thermal	thermal	ADJ
eurjchem-2675	20	45	conductivity	conductivity	NOUN
eurjchem-2675	20	46	and	and	CCONJ
eurjchem-2675	20	47	substantial	substantial	ADJ
eurjchem-2675	20	48	density	density	NOUN
eurjchem-2675	21	1	[	[	X
eurjchem-2675	21	2	6	6	NUM
eurjchem-2675	21	3	-	-	SYM
eurjchem-2675	21	4	9	9	NUM
eurjchem-2675	21	5	]	]	PUNCT
eurjchem-2675	21	6	.	.	PUNCT
eurjchem-2675	22	1	the	the	DET
eurjchem-2675	22	2	static	static	ADJ
eurjchem-2675	22	3	dielectric	dielectric	NOUN
eurjchem-2675	22	4	constant	constant	ADJ
eurjchem-2675	22	5	,	,	PUNCT
eurjchem-2675	22	6	a	a	DET
eurjchem-2675	22	7	crucial	crucial	ADJ
eurjchem-2675	22	8	metric	metric	NOUN
eurjchem-2675	22	9	for	for	ADP
eurjchem-2675	22	10	device	device	NOUN
eurjchem-2675	22	11	manufacturing	manufacturing	NOUN
eurjchem-2675	22	12	,	,	PUNCT
eurjchem-2675	22	13	is	be	AUX
eurjchem-2675	22	14	often	often	ADV
eurjchem-2675	22	15	elevated	elevate	VERB
eurjchem-2675	22	16	in	in	ADP
eurjchem-2675	22	17	these	these	DET
eurjchem-2675	22	18	materials	material	NOUN
eurjchem-2675	22	19	,	,	PUNCT
eurjchem-2675	22	20	thus	thus	ADV
eurjchem-2675	22	21	improving	improve	VERB
eurjchem-2675	22	22	their	their	PRON
eurjchem-2675	22	23	functional	functional	ADJ
eurjchem-2675	22	24	performance	performance	NOUN
eurjchem-2675	22	25	.	.	PUNCT
eurjchem-2675	23	1	transition	transition	NOUN
eurjchem-2675	23	2	-	-	PUNCT
eurjchem-2675	23	3	metal	metal	NOUN
eurjchem-2675	23	4	oxides	oxide	NOUN
eurjchem-2675	23	5	are	be	AUX
eurjchem-2675	23	6	distinguished	distinguish	VERB
eurjchem-2675	23	7	by	by	ADP
eurjchem-2675	23	8	their	their	PRON
eurjchem-2675	23	9	photocatalytic	photocatalytic	ADJ
eurjchem-2675	23	10	activity	activity	NOUN
eurjchem-2675	23	11	,	,	PUNCT
eurjchem-2675	23	12	photoluminescence	photoluminescence	NOUN
eurjchem-2675	23	13	,	,	PUNCT
eurjchem-2675	23	14	and	and	CCONJ
eurjchem-2675	23	15	increased	increase	VERB
eurjchem-2675	23	16	chemical	chemical	NOUN
eurjchem-2675	23	17	reactivity	reactivity	NOUN
eurjchem-2675	23	18	,	,	PUNCT
eurjchem-2675	23	19	increasing	increase	VERB
eurjchem-2675	23	20	their	their	PRON
eurjchem-2675	23	21	utility	utility	NOUN
eurjchem-2675	23	22	[	[	X
eurjchem-2675	23	23	10	10	NUM
eurjchem-2675	23	24	]	]	PUNCT
eurjchem-2675	23	25	.	.	PUNCT
eurjchem-2675	24	1	perovskite	perovskite	ADJ
eurjchem-2675	24	2	materials	material	NOUN
eurjchem-2675	24	3	,	,	PUNCT
eurjchem-2675	24	4	characterized	characterize	VERB
eurjchem-2675	24	5	by	by	ADP
eurjchem-2675	24	6	the	the	DET
eurjchem-2675	24	7	general	general	ADJ
eurjchem-2675	24	8	formula	formula	NOUN
eurjchem-2675	24	9	abx3	abx3	NOUN
eurjchem-2675	24	10	,	,	PUNCT
eurjchem-2675	24	11	have	have	AUX
eurjchem-2675	24	12	attracted	attract	VERB
eurjchem-2675	24	13	considerable	considerable	ADJ
eurjchem-2675	24	14	interest	interest	NOUN
eurjchem-2675	24	15	for	for	ADP
eurjchem-2675	24	16	their	their	PRON
eurjchem-2675	24	17	many	many	ADJ
eurjchem-2675	24	18	applications	application	NOUN
eurjchem-2675	24	19	in	in	ADP
eurjchem-2675	24	20	semiconductors	semiconductor	NOUN
eurjchem-2675	24	21	,	,	PUNCT
eurjchem-2675	24	22	energy	energy	NOUN
eurjchem-2675	24	23	storage	storage	NOUN
eurjchem-2675	24	24	,	,	PUNCT
eurjchem-2675	24	25	and	and	CCONJ
eurjchem-2675	24	26	optoelectronics	optoelectronic	NOUN
eurjchem-2675	24	27	[	[	X
eurjchem-2675	24	28	11	11	NUM
eurjchem-2675	24	29	]	]	PUNCT
eurjchem-2675	24	30	.	.	PUNCT
eurjchem-2675	25	1	halide	halide	NOUN
eurjchem-2675	25	2	perovskites	perovskite	NOUN
eurjchem-2675	25	3	are	be	AUX
eurjchem-2675	25	4	particularly	particularly	ADV
eurjchem-2675	25	5	attractive	attractive	ADJ
eurjchem-2675	25	6	because	because	SCONJ
eurjchem-2675	25	7	of	of	ADP
eurjchem-2675	25	8	their	their	PRON
eurjchem-2675	25	9	adjustable	adjustable	ADJ
eurjchem-2675	25	10	bandgaps	bandgap	NOUN
eurjchem-2675	25	11	and	and	CCONJ
eurjchem-2675	25	12	elevated	elevated	ADJ
eurjchem-2675	25	13	absorption	absorption	NOUN
eurjchem-2675	25	14	coefficients	coefficient	NOUN
eurjchem-2675	25	15	,	,	PUNCT
eurjchem-2675	25	16	making	make	VERB
eurjchem-2675	25	17	them	they	PRON
eurjchem-2675	25	18	suitable	suitable	ADJ
eurjchem-2675	25	19	for	for	ADP
eurjchem-2675	25	20	use	use	NOUN
eurjchem-2675	25	21	in	in	ADP
eurjchem-2675	25	22	solar	solar	ADJ
eurjchem-2675	25	23	cells	cell	NOUN
eurjchem-2675	25	24	,	,	PUNCT
eurjchem-2675	25	25	light	light	NOUN
eurjchem-2675	25	26	-	-	PUNCT
eurjchem-2675	25	27	emitting	emit	VERB
eurjchem-2675	25	28	diodes	diode	NOUN
eurjchem-2675	25	29	(	(	PUNCT
eurjchem-2675	25	30	leds	led	NOUN
eurjchem-2675	25	31	)	)	PUNCT
eurjchem-2675	25	32	,	,	PUNCT
eurjchem-2675	25	33	and	and	CCONJ
eurjchem-2675	25	34	scintillators	scintillator	NOUN
eurjchem-2675	25	35	.	.	PUNCT
eurjchem-2675	26	1	however	however	ADV
eurjchem-2675	26	2	,	,	PUNCT
eurjchem-2675	26	3	concerns	concern	NOUN
eurjchem-2675	26	4	about	about	ADP
eurjchem-2675	26	5	lead	lead	NOUN
eurjchem-2675	26	6	toxicity	toxicity	NOUN
eurjchem-2675	26	7	and	and	CCONJ
eurjchem-2675	26	8	environmental	environmental	ADJ
eurjchem-2675	26	9	instability	instability	NOUN
eurjchem-2675	26	10	have	have	AUX
eurjchem-2675	26	11	restricted	restrict	VERB
eurjchem-2675	26	12	their	their	PRON
eurjchem-2675	26	13	commercial	commercial	ADJ
eurjchem-2675	26	14	use	use	NOUN
eurjchem-2675	26	15	.	.	PUNCT
eurjchem-2675	27	1	this	this	PRON
eurjchem-2675	27	2	has	have	AUX
eurjchem-2675	27	3	inspired	inspire	VERB
eurjchem-2675	27	4	theoretical	theoretical	ADJ
eurjchem-2675	27	5	investigations	investigation	NOUN
eurjchem-2675	27	6	into	into	ADP
eurjchem-2675	27	7	lead	lead	NOUN
eurjchem-2675	27	8	-	-	PUNCT
eurjchem-2675	27	9	free	free	ADJ
eurjchem-2675	27	10	halide	halide	NOUN
eurjchem-2675	27	11	perovskites	perovskite	NOUN
eurjchem-2675	27	12	,	,	PUNCT
eurjchem-2675	27	13	including	include	VERB
eurjchem-2675	27	14	libecl3	libecl3	NOUN
eurjchem-2675	27	15	and	and	CCONJ
eurjchem-2675	27	16	limgcl3	limgcl3	NOUN
eurjchem-2675	28	1	[	[	X
eurjchem-2675	28	2	12,13	12,13	NUM
eurjchem-2675	28	3	]	]	PUNCT
eurjchem-2675	28	4	.	.	PUNCT
eurjchem-2675	29	1	abstract	abstract	ADJ
eurjchem-2675	29	2	research	research	NOUN
eurjchem-2675	29	3	article	article	NOUN
eurjchem-2675	29	4	keywords	keyword	VERB
eurjchem-2675	29	5	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	PROPN
eurjchem-2675	29	6	https://www.eurjchem.com/	https://www.eurjchem.com/	PROPN
eurjchem-2675	29	7	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	https://dx.doi.org/10.5155/eurjchem.16.3.292-301.2675	PROPN
eurjchem-2675	29	8	mailto:razibmunshi@eub.edu.bd	mailto:razibmunshi@eub.edu.bd	PROPN
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eurjchem-2675	29	12	masud	masud	PROPN
eurjchem-2675	29	13	et	et	PROPN
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eurjchem-2675	29	15	.	.	PUNCT
eurjchem-2675	29	16	/	/	SYM
eurjchem-2675	29	17	european	european	PROPN
eurjchem-2675	29	18	journal	journal	PROPN
eurjchem-2675	29	19	of	of	ADP
eurjchem-2675	29	20	chemistry	chemistry	NOUN
eurjchem-2675	29	21	16	16	NUM
eurjchem-2675	29	22	(	(	PUNCT
eurjchem-2675	29	23	3	3	NUM
eurjchem-2675	29	24	)	)	PUNCT
eurjchem-2675	29	25	(	(	PUNCT
eurjchem-2675	29	26	2025	2025	NUM
eurjchem-2675	29	27	)	)	PUNCT
eurjchem-2675	29	28	292	292	NUM
eurjchem-2675	29	29	-	-	SYM
eurjchem-2675	29	30	301	301	NUM
eurjchem-2675	29	31	293	293	NUM
eurjchem-2675	29	32	2025	2025	NUM
eurjchem-2675	29	33	–	–	PUNCT
eurjchem-2675	29	34	european	european	ADJ
eurjchem-2675	29	35	journal	journal	NOUN
eurjchem-2675	29	36	of	of	ADP
eurjchem-2675	29	37	chemistry	chemistry	NOUN
eurjchem-2675	29	38	–	–	PUNCT
eurjchem-2675	29	39	cc	cc	NOUN
eurjchem-2675	29	40	by	by	ADP
eurjchem-2675	29	41	nc	nc	PROPN
eurjchem-2675	29	42	–	–	PUNCT
eurjchem-2675	29	43	doi	doi	NOUN
eurjchem-2675	29	44	:	:	PUNCT
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eurjchem-2675	29	46	/	/	SYM
eurjchem-2675	29	47	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	29	48	-	-	SYM
eurjchem-2675	29	49	301.2675	301.2675	NUM
eurjchem-2675	29	50	table	table	NOUN
eurjchem-2675	29	51	1	1	NUM
eurjchem-2675	29	52	.	.	PUNCT
eurjchem-2675	29	53	optimized	optimize	VERB
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eurjchem-2675	29	58	volume	volume	NOUN
eurjchem-2675	29	59	,	,	PUNCT
eurjchem-2675	29	60	and	and	CCONJ
eurjchem-2675	29	61	final	final	ADJ
eurjchem-2675	29	62	energy	energy	NOUN
eurjchem-2675	29	63	of	of	ADP
eurjchem-2675	29	64	behfo3	behfo3	NOUN
eurjchem-2675	29	65	crystal	crystal	PROPN
eurjchem-2675	29	66	.	.	PUNCT
eurjchem-2675	30	1	compound	compound	PROPN
eurjchem-2675	30	2	lattice	lattice	PROPN
eurjchem-2675	30	3	parameter	parameter	PROPN
eurjchem-2675	30	4	a	a	DET
eurjchem-2675	30	5	=	=	X
eurjchem-2675	30	6	b	b	NOUN
eurjchem-2675	30	7	=	=	SYM
eurjchem-2675	30	8	c	c	X
eurjchem-2675	30	9	(	(	PUNCT
eurjchem-2675	30	10	å	å	NOUN
eurjchem-2675	30	11	)	)	PUNCT
eurjchem-2675	30	12	initial	initial	ADJ
eurjchem-2675	30	13	cell	cell	NOUN
eurjchem-2675	30	14	volume	volume	NOUN
eurjchem-2675	30	15	(	(	PUNCT
eurjchem-2675	30	16	å3	å3	PROPN
eurjchem-2675	30	17	)	)	PUNCT
eurjchem-2675	30	18	optimized	optimize	VERB
eurjchem-2675	30	19	cell	cell	NOUN
eurjchem-2675	30	20	volume	volume	NOUN
eurjchem-2675	30	21	(	(	PUNCT
eurjchem-2675	30	22	å3	å3	PROPN
eurjchem-2675	30	23	)	)	PUNCT
eurjchem-2675	30	24	final	final	ADJ
eurjchem-2675	30	25	energy	energy	NOUN
eurjchem-2675	30	26	(	(	PUNCT
eurjchem-2675	30	27	ev	ev	NOUN
eurjchem-2675	30	28	)	)	PUNCT
eurjchem-2675	30	29	methods	method	NOUN
eurjchem-2675	30	30	behfo3	behfo3	VERB
eurjchem-2675	31	1	3.346402	3.346402	NUM
eurjchem-2675	31	2	54.010152	54.010152	NUM
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eurjchem-2675	31	4	-1410.976738180	-1410.976738180	ADP
eurjchem-2675	31	5	pbe	pbe	PROPN
eurjchem-2675	31	6	3.356706	3.356706	NUM
eurjchem-2675	31	7	54.010152	54.010152	NUM
eurjchem-2675	31	8	37.821604	37.821604	NUM
eurjchem-2675	31	9	-1411.855961562	-1411.855961562	NUM
eurjchem-2675	31	10	rpbe	rpbe	PROPN
eurjchem-2675	31	11	3.334390	3.334390	NUM
eurjchem-2675	31	12	54.010152	54.010152	NUM
eurjchem-2675	31	13	37.072281	37.072281	NUM
eurjchem-2675	31	14	-1407.297375017	-1407.297375017	ADP
eurjchem-2675	31	15	pbe	pbe	PROPN
eurjchem-2675	31	16	sol	sol	NOUN
eurjchem-2675	31	17	3.317263	3.317263	NUM
eurjchem-2675	31	18	54.010152	54.010152	NUM
eurjchem-2675	31	19	36.503941	36.503941	NUM
eurjchem-2675	31	20	-1410.935450263	-1410.935450263	PROPN
eurjchem-2675	31	21	lda	lda	PROPN
eurjchem-2675	31	22	3.780	3.780	NUM
eurjchem-2675	31	23	54.010152	54.010152	NUM
eurjchem-2675	31	24	54.112	54.112	NUM
eurjchem-2675	31	25	-1405.541434666	-1405.541434666	NUM
eurjchem-2675	31	26	b3lyp	b3lyp	PROPN
eurjchem-2675	31	27	density	density	NOUN
eurjchem-2675	31	28	functional	functional	ADJ
eurjchem-2675	31	29	theory	theory	NOUN
eurjchem-2675	31	30	(	(	PUNCT
eurjchem-2675	31	31	dft	dft	NOUN
eurjchem-2675	31	32	)	)	PUNCT
eurjchem-2675	31	33	analyses	analysis	NOUN
eurjchem-2675	31	34	demonstrate	demonstrate	VERB
eurjchem-2675	31	35	that	that	SCONJ
eurjchem-2675	31	36	these	these	DET
eurjchem-2675	31	37	materials	material	NOUN
eurjchem-2675	31	38	possess	possess	VERB
eurjchem-2675	31	39	broad	broad	ADJ
eurjchem-2675	31	40	indirect	indirect	ADJ
eurjchem-2675	31	41	bandgaps	bandgap	NOUN
eurjchem-2675	31	42	,	,	PUNCT
eurjchem-2675	31	43	dynamic	dynamic	ADJ
eurjchem-2675	31	44	stability	stability	NOUN
eurjchem-2675	31	45	,	,	PUNCT
eurjchem-2675	31	46	and	and	CCONJ
eurjchem-2675	31	47	advantageous	advantageous	ADJ
eurjchem-2675	31	48	optical	optical	ADJ
eurjchem-2675	31	49	characteristics	characteristic	NOUN
eurjchem-2675	31	50	,	,	PUNCT
eurjchem-2675	31	51	suggesting	suggest	VERB
eurjchem-2675	31	52	their	their	PRON
eurjchem-2675	31	53	potential	potential	NOUN
eurjchem-2675	31	54	for	for	ADP
eurjchem-2675	31	55	optoelectronic	optoelectronic	ADJ
eurjchem-2675	31	56	applications	application	NOUN
eurjchem-2675	31	57	such	such	ADJ
eurjchem-2675	31	58	as	as	ADP
eurjchem-2675	31	59	energy	energy	NOUN
eurjchem-2675	31	60	storage	storage	NOUN
eurjchem-2675	31	61	and	and	CCONJ
eurjchem-2675	31	62	scintillation	scintillation	NOUN
eurjchem-2675	31	63	devices	device	NOUN
eurjchem-2675	31	64	.	.	PUNCT
eurjchem-2675	32	1	oxide	oxide	NOUN
eurjchem-2675	32	2	perovskites	perovskite	NOUN
eurjchem-2675	32	3	have	have	AUX
eurjchem-2675	32	4	garnered	garner	VERB
eurjchem-2675	32	5	scientific	scientific	ADJ
eurjchem-2675	32	6	attention	attention	NOUN
eurjchem-2675	32	7	due	due	ADP
eurjchem-2675	32	8	to	to	ADP
eurjchem-2675	32	9	their	their	PRON
eurjchem-2675	32	10	structural	structural	ADJ
eurjchem-2675	32	11	stability	stability	NOUN
eurjchem-2675	32	12	and	and	CCONJ
eurjchem-2675	32	13	broad	broad	ADJ
eurjchem-2675	32	14	bandgaps	bandgap	NOUN
eurjchem-2675	32	15	,	,	PUNCT
eurjchem-2675	32	16	making	make	VERB
eurjchem-2675	32	17	them	they	PRON
eurjchem-2675	32	18	suitable	suitable	ADJ
eurjchem-2675	32	19	for	for	ADP
eurjchem-2675	32	20	use	use	NOUN
eurjchem-2675	32	21	in	in	ADP
eurjchem-2675	32	22	lenses	lense	NOUN
eurjchem-2675	32	23	,	,	PUNCT
eurjchem-2675	32	24	lithography	lithography	NOUN
eurjchem-2675	32	25	,	,	PUNCT
eurjchem-2675	32	26	and	and	CCONJ
eurjchem-2675	32	27	energy	energy	NOUN
eurjchem-2675	32	28	storage	storage	NOUN
eurjchem-2675	32	29	.	.	PUNCT
eurjchem-2675	33	1	silicon	silicon	NOUN
eurjchem-2675	33	2	-	-	PUNCT
eurjchem-2675	33	3	based	base	VERB
eurjchem-2675	33	4	oxide	oxide	NOUN
eurjchem-2675	33	5	perovskites	perovskite	NOUN
eurjchem-2675	33	6	,	,	PUNCT
eurjchem-2675	33	7	including	include	VERB
eurjchem-2675	33	8	simo3	simo3	NOUN
eurjchem-2675	33	9	(	(	PUNCT
eurjchem-2675	33	10	m	m	NOUN
eurjchem-2675	33	11	:	:	PUNCT
eurjchem-2675	33	12	sn	sn	PROPN
eurjchem-2675	33	13	,	,	PUNCT
eurjchem-2675	33	14	ge	ge	PROPN
eurjchem-2675	33	15	)	)	PUNCT
eurjchem-2675	33	16	,	,	PUNCT
eurjchem-2675	33	17	demonstrate	demonstrate	VERB
eurjchem-2675	33	18	mechanical	mechanical	ADJ
eurjchem-2675	33	19	stability	stability	NOUN
eurjchem-2675	33	20	and	and	CCONJ
eurjchem-2675	33	21	semiconductor	semiconductor	NOUN
eurjchem-2675	33	22	properties	property	NOUN
eurjchem-2675	33	23	,	,	PUNCT
eurjchem-2675	33	24	with	with	ADP
eurjchem-2675	33	25	band	band	NOUN
eurjchem-2675	33	26	gaps	gap	NOUN
eurjchem-2675	33	27	appropriate	appropriate	ADJ
eurjchem-2675	33	28	for	for	ADP
eurjchem-2675	33	29	ultraviolet	ultraviolet	NOUN
eurjchem-2675	33	30	(	(	PUNCT
eurjchem-2675	33	31	uv	uv	NOUN
eurjchem-2675	33	32	)	)	PUNCT
eurjchem-2675	33	33	applications	application	NOUN
eurjchem-2675	33	34	[	[	X
eurjchem-2675	33	35	14,15	14,15	NUM
eurjchem-2675	33	36	]	]	PUNCT
eurjchem-2675	33	37	.	.	PUNCT
eurjchem-2675	34	1	recent	recent	ADJ
eurjchem-2675	34	2	computational	computational	ADJ
eurjchem-2675	34	3	investigations	investigation	NOUN
eurjchem-2675	34	4	employing	employ	VERB
eurjchem-2675	34	5	dft	dft	NOUN
eurjchem-2675	34	6	have	have	AUX
eurjchem-2675	34	7	focused	focus	VERB
eurjchem-2675	34	8	on	on	ADP
eurjchem-2675	34	9	silicon	silicon	NOUN
eurjchem-2675	34	10	-	-	PUNCT
eurjchem-2675	34	11	based	base	VERB
eurjchem-2675	34	12	xsio3	xsio3	PROPN
eurjchem-2675	35	1	(	(	PUNCT
eurjchem-2675	35	2	x	x	NOUN
eurjchem-2675	35	3	:	:	PUNCT
eurjchem-2675	35	4	sc	sc	PROPN
eurjchem-2675	35	5	,	,	PUNCT
eurjchem-2675	35	6	y	y	PROPN
eurjchem-2675	35	7	)	)	PUNCT
eurjchem-2675	35	8	compounds	compound	NOUN
eurjchem-2675	35	9	,	,	PUNCT
eurjchem-2675	35	10	emphasizing	emphasize	VERB
eurjchem-2675	35	11	their	their	PRON
eurjchem-2675	35	12	advantageous	advantageous	ADJ
eurjchem-2675	35	13	structural	structural	ADJ
eurjchem-2675	35	14	,	,	PUNCT
eurjchem-2675	35	15	elastic	elastic	ADJ
eurjchem-2675	35	16	,	,	PUNCT
eurjchem-2675	35	17	electrical	electrical	ADJ
eurjchem-2675	35	18	,	,	PUNCT
eurjchem-2675	35	19	and	and	CCONJ
eurjchem-2675	35	20	optical	optical	ADJ
eurjchem-2675	35	21	properties	property	NOUN
eurjchem-2675	35	22	for	for	ADP
eurjchem-2675	35	23	optoelectronic	optoelectronic	ADJ
eurjchem-2675	35	24	applications	application	NOUN
eurjchem-2675	35	25	[	[	X
eurjchem-2675	35	26	16	16	NUM
eurjchem-2675	35	27	]	]	PUNCT
eurjchem-2675	35	28	.	.	PUNCT
eurjchem-2675	36	1	computational	computational	ADJ
eurjchem-2675	36	2	studies	study	NOUN
eurjchem-2675	36	3	of	of	ADP
eurjchem-2675	36	4	caqcl3	caqcl3	X
eurjchem-2675	36	5	(	(	PUNCT
eurjchem-2675	36	6	q	q	NOUN
eurjchem-2675	36	7	:	:	PUNCT
eurjchem-2675	36	8	li	li	X
eurjchem-2675	36	9	,	,	PUNCT
eurjchem-2675	36	10	k	k	NOUN
eurjchem-2675	36	11	)	)	PUNCT
eurjchem-2675	36	12	chloroperovskites	chloroperovskite	NOUN
eurjchem-2675	36	13	have	have	AUX
eurjchem-2675	36	14	disclosed	disclose	VERB
eurjchem-2675	36	15	favorable	favorable	ADJ
eurjchem-2675	36	16	structural	structural	ADJ
eurjchem-2675	36	17	,	,	PUNCT
eurjchem-2675	36	18	elastic	elastic	ADJ
eurjchem-2675	36	19	,	,	PUNCT
eurjchem-2675	36	20	electrical	electrical	ADJ
eurjchem-2675	36	21	,	,	PUNCT
eurjchem-2675	36	22	and	and	CCONJ
eurjchem-2675	36	23	optical	optical	ADJ
eurjchem-2675	36	24	features	feature	NOUN
eurjchem-2675	36	25	for	for	ADP
eurjchem-2675	36	26	these	these	DET
eurjchem-2675	36	27	applications	application	NOUN
eurjchem-2675	36	28	[	[	X
eurjchem-2675	36	29	17	17	NUM
eurjchem-2675	36	30	]	]	PUNCT
eurjchem-2675	36	31	.	.	PUNCT
eurjchem-2675	37	1	tl	tl	PROPN
eurjchem-2675	37	2	-	-	PUNCT
eurjchem-2675	37	3	based	base	VERB
eurjchem-2675	37	4	fluoro	fluoro	NOUN
eurjchem-2675	37	5	-	-	PUNCT
eurjchem-2675	37	6	perovskites	perovskite	NOUN
eurjchem-2675	37	7	(	(	PUNCT
eurjchem-2675	37	8	e.g.	e.g.	ADV
eurjchem-2675	37	9	,	,	PUNCT
eurjchem-2675	37	10	tlvf3	tlvf3	NOUN
eurjchem-2675	37	11	and	and	CCONJ
eurjchem-2675	37	12	tlnbf3	tlnbf3	NOUN
eurjchem-2675	37	13	)	)	PUNCT
eurjchem-2675	37	14	have	have	VERB
eurjchem-2675	37	15	semiconducting	semiconducte	VERB
eurjchem-2675	37	16	properties	property	NOUN
eurjchem-2675	37	17	,	,	PUNCT
eurjchem-2675	37	18	mechanical	mechanical	ADJ
eurjchem-2675	37	19	stability	stability	NOUN
eurjchem-2675	37	20	,	,	PUNCT
eurjchem-2675	37	21	and	and	CCONJ
eurjchem-2675	37	22	ferromagnetism	ferromagnetism	NOUN
eurjchem-2675	37	23	,	,	PUNCT
eurjchem-2675	37	24	rendering	render	VERB
eurjchem-2675	37	25	them	they	PRON
eurjchem-2675	37	26	viable	viable	ADJ
eurjchem-2675	37	27	candidates	candidate	NOUN
eurjchem-2675	37	28	for	for	ADP
eurjchem-2675	37	29	optoelectronic	optoelectronic	ADJ
eurjchem-2675	37	30	and	and	CCONJ
eurjchem-2675	37	31	photovoltaic	photovoltaic	NOUN
eurjchem-2675	37	32	applications	application	NOUN
eurjchem-2675	37	33	[	[	X
eurjchem-2675	37	34	18	18	NUM
eurjchem-2675	37	35	]	]	PUNCT
eurjchem-2675	37	36	.	.	PUNCT
eurjchem-2675	38	1	the	the	DET
eurjchem-2675	38	2	structural	structural	ADJ
eurjchem-2675	38	3	adaptability	adaptability	NOUN
eurjchem-2675	38	4	and	and	CCONJ
eurjchem-2675	38	5	compositional	compositional	ADJ
eurjchem-2675	38	6	variety	variety	NOUN
eurjchem-2675	38	7	of	of	ADP
eurjchem-2675	38	8	perovskite	perovskite	NOUN
eurjchem-2675	38	9	materials	material	NOUN
eurjchem-2675	38	10	provide	provide	VERB
eurjchem-2675	38	11	an	an	DET
eurjchem-2675	38	12	extensive	extensive	ADJ
eurjchem-2675	38	13	array	array	NOUN
eurjchem-2675	38	14	of	of	ADP
eurjchem-2675	38	15	mechanical	mechanical	ADJ
eurjchem-2675	38	16	,	,	PUNCT
eurjchem-2675	38	17	electrical	electrical	ADJ
eurjchem-2675	38	18	,	,	PUNCT
eurjchem-2675	38	19	magnetic	magnetic	ADJ
eurjchem-2675	38	20	,	,	PUNCT
eurjchem-2675	38	21	optical	optical	ADJ
eurjchem-2675	38	22	,	,	PUNCT
eurjchem-2675	38	23	and	and	CCONJ
eurjchem-2675	38	24	transport	transport	NOUN
eurjchem-2675	38	25	capabilities	capability	NOUN
eurjchem-2675	38	26	,	,	PUNCT
eurjchem-2675	38	27	permitting	permit	VERB
eurjchem-2675	38	28	their	their	PRON
eurjchem-2675	38	29	application	application	NOUN
eurjchem-2675	38	30	in	in	ADP
eurjchem-2675	38	31	domains	domain	NOUN
eurjchem-2675	38	32	such	such	ADJ
eurjchem-2675	38	33	as	as	ADP
eurjchem-2675	38	34	optoelectronics	optoelectronic	NOUN
eurjchem-2675	38	35	,	,	PUNCT
eurjchem-2675	38	36	photonics	photonic	NOUN
eurjchem-2675	38	37	,	,	PUNCT
eurjchem-2675	38	38	and	and	CCONJ
eurjchem-2675	38	39	spintronics	spintronic	NOUN
eurjchem-2675	38	40	.	.	PUNCT
eurjchem-2675	39	1	chloroperovskites	chloroperovskite	NOUN
eurjchem-2675	39	2	,	,	PUNCT
eurjchem-2675	39	3	containing	contain	VERB
eurjchem-2675	39	4	chlorine	chlorine	NOUN
eurjchem-2675	39	5	as	as	ADP
eurjchem-2675	39	6	the	the	DET
eurjchem-2675	39	7	halogen	halogen	NOUN
eurjchem-2675	39	8	,	,	PUNCT
eurjchem-2675	39	9	exhibit	exhibit	VERB
eurjchem-2675	39	10	broad	broad	ADJ
eurjchem-2675	39	11	band	band	NOUN
eurjchem-2675	39	12	gaps	gap	NOUN
eurjchem-2675	39	13	,	,	PUNCT
eurjchem-2675	39	14	ideal	ideal	ADJ
eurjchem-2675	39	15	for	for	ADP
eurjchem-2675	39	16	ultraviolet	ultraviolet	ADJ
eurjchem-2675	39	17	light	light	ADJ
eurjchem-2675	39	18	applications	application	NOUN
eurjchem-2675	39	19	and	and	CCONJ
eurjchem-2675	39	20	energy	energy	NOUN
eurjchem-2675	39	21	storage	storage	NOUN
eurjchem-2675	39	22	.	.	PUNCT
eurjchem-2675	40	1	they	they	PRON
eurjchem-2675	40	2	also	also	ADV
eurjchem-2675	40	3	possess	possess	VERB
eurjchem-2675	40	4	ferroelectric	ferroelectric	ADJ
eurjchem-2675	40	5	and	and	CCONJ
eurjchem-2675	40	6	semiconductive	semiconductive	ADJ
eurjchem-2675	40	7	properties	property	NOUN
eurjchem-2675	40	8	beneficial	beneficial	ADJ
eurjchem-2675	40	9	for	for	ADP
eurjchem-2675	40	10	scintillating	scintillating	ADJ
eurjchem-2675	40	11	materials	material	NOUN
eurjchem-2675	40	12	in	in	ADP
eurjchem-2675	40	13	medical	medical	ADJ
eurjchem-2675	40	14	imaging	imaging	NOUN
eurjchem-2675	40	15	and	and	CCONJ
eurjchem-2675	40	16	high	high	ADJ
eurjchem-2675	40	17	-	-	PUNCT
eurjchem-2675	40	18	energy	energy	NOUN
eurjchem-2675	40	19	physics	physics	NOUN
eurjchem-2675	40	20	[	[	X
eurjchem-2675	40	21	19,20	19,20	X
eurjchem-2675	40	22	]	]	PUNCT
eurjchem-2675	40	23	.	.	PUNCT
eurjchem-2675	41	1	although	although	SCONJ
eurjchem-2675	41	2	comprehensive	comprehensive	ADJ
eurjchem-2675	41	3	theoretical	theoretical	ADJ
eurjchem-2675	41	4	investigations	investigation	NOUN
eurjchem-2675	41	5	have	have	AUX
eurjchem-2675	41	6	been	be	AUX
eurjchem-2675	41	7	performed	perform	VERB
eurjchem-2675	41	8	on	on	ADP
eurjchem-2675	41	9	different	different	ADJ
eurjchem-2675	41	10	aspects	aspect	NOUN
eurjchem-2675	41	11	of	of	ADP
eurjchem-2675	41	12	several	several	ADJ
eurjchem-2675	41	13	semiconductors	semiconductor	NOUN
eurjchem-2675	41	14	,	,	PUNCT
eurjchem-2675	41	15	including	include	VERB
eurjchem-2675	41	16	bahfo3	bahfo3	NOUN
eurjchem-2675	42	1	[	[	X
eurjchem-2675	42	2	21,22	21,22	NOUN
eurjchem-2675	42	3	]	]	X
eurjchem-2675	42	4	,	,	PUNCT
eurjchem-2675	42	5	cahfo3	cahfo3	NOUN
eurjchem-2675	42	6	,	,	PUNCT
eurjchem-2675	42	7	and	and	CCONJ
eurjchem-2675	42	8	srhfo3	srhfo3	NOUN
eurjchem-2675	43	1	[	[	X
eurjchem-2675	43	2	23,24	23,24	ADP
eurjchem-2675	43	3	]	]	PUNCT
eurjchem-2675	43	4	,	,	PUNCT
eurjchem-2675	43	5	the	the	DET
eurjchem-2675	43	6	compound	compound	NOUN
eurjchem-2675	43	7	behfo3	behfo3	NOUN
eurjchem-2675	43	8	has	have	AUX
eurjchem-2675	43	9	not	not	PART
eurjchem-2675	43	10	been	be	AUX
eurjchem-2675	43	11	thoroughly	thoroughly	ADV
eurjchem-2675	43	12	examined	examine	VERB
eurjchem-2675	43	13	.	.	PUNCT
eurjchem-2675	44	1	due	due	ADP
eurjchem-2675	44	2	to	to	ADP
eurjchem-2675	44	3	the	the	DET
eurjchem-2675	44	4	prevalent	prevalent	ADJ
eurjchem-2675	44	5	application	application	NOUN
eurjchem-2675	44	6	of	of	ADP
eurjchem-2675	44	7	hf	hf	ADV
eurjchem-2675	44	8	-	-	PUNCT
eurjchem-2675	44	9	based	base	VERB
eurjchem-2675	44	10	high	high	ADJ
eurjchem-2675	44	11	-	-	PUNCT
eurjchem-2675	44	12	k	k	NOUN
eurjchem-2675	44	13	dielectrics	dielectric	NOUN
eurjchem-2675	44	14	such	such	ADJ
eurjchem-2675	44	15	as	as	ADP
eurjchem-2675	44	16	hfo2	hfo2	NOUN
eurjchem-2675	44	17	in	in	ADP
eurjchem-2675	44	18	contemporary	contemporary	ADJ
eurjchem-2675	44	19	electronics	electronic	NOUN
eurjchem-2675	44	20	,	,	PUNCT
eurjchem-2675	44	21	behfo3	behfo3	NOUN
eurjchem-2675	44	22	emerges	emerge	VERB
eurjchem-2675	44	23	as	as	ADP
eurjchem-2675	44	24	a	a	DET
eurjchem-2675	44	25	viable	viable	ADJ
eurjchem-2675	44	26	alternative	alternative	NOUN
eurjchem-2675	44	27	with	with	ADP
eurjchem-2675	44	28	distinctive	distinctive	ADJ
eurjchem-2675	44	29	characteristics	characteristic	NOUN
eurjchem-2675	44	30	.	.	PUNCT
eurjchem-2675	45	1	the	the	DET
eurjchem-2675	45	2	photocatalytic	photocatalytic	ADJ
eurjchem-2675	45	3	uses	use	NOUN
eurjchem-2675	45	4	of	of	ADP
eurjchem-2675	45	5	hafnia	hafnia	PROPN
eurjchem-2675	45	6	derivatives	derivative	NOUN
eurjchem-2675	45	7	have	have	AUX
eurjchem-2675	45	8	recently	recently	ADV
eurjchem-2675	45	9	attracted	attract	VERB
eurjchem-2675	45	10	attention	attention	NOUN
eurjchem-2675	45	11	;	;	PUNCT
eurjchem-2675	45	12	however	however	ADV
eurjchem-2675	45	13	,	,	PUNCT
eurjchem-2675	45	14	the	the	DET
eurjchem-2675	45	15	potential	potential	NOUN
eurjchem-2675	45	16	of	of	ADP
eurjchem-2675	45	17	behfo3	behfo3	NOUN
eurjchem-2675	45	18	in	in	ADP
eurjchem-2675	45	19	this	this	DET
eurjchem-2675	45	20	domain	domain	NOUN
eurjchem-2675	45	21	remains	remains	AUX
eurjchem-2675	45	22	inadequately	inadequately	ADV
eurjchem-2675	45	23	explored	explore	VERB
eurjchem-2675	45	24	.	.	PUNCT
eurjchem-2675	46	1	the	the	DET
eurjchem-2675	46	2	capacity	capacity	NOUN
eurjchem-2675	46	3	to	to	PART
eurjchem-2675	46	4	adjust	adjust	VERB
eurjchem-2675	46	5	the	the	DET
eurjchem-2675	46	6	optical	optical	ADJ
eurjchem-2675	46	7	bandgap	bandgap	NOUN
eurjchem-2675	46	8	in	in	ADP
eurjchem-2675	46	9	these	these	DET
eurjchem-2675	46	10	materials	material	NOUN
eurjchem-2675	46	11	presents	present	VERB
eurjchem-2675	46	12	significant	significant	ADJ
eurjchem-2675	46	13	possibilities	possibility	NOUN
eurjchem-2675	46	14	for	for	ADP
eurjchem-2675	46	15	enhancing	enhance	VERB
eurjchem-2675	46	16	photocatalysts	photocatalyst	NOUN
eurjchem-2675	46	17	.	.	PUNCT
eurjchem-2675	47	1	hybrid	hybrid	ADJ
eurjchem-2675	47	2	density	density	NOUN
eurjchem-2675	47	3	functional	functional	ADJ
eurjchem-2675	47	4	theory	theory	NOUN
eurjchem-2675	47	5	(	(	PUNCT
eurjchem-2675	47	6	hybrid	hybrid	NOUN
eurjchem-2675	47	7	-	-	PUNCT
eurjchem-2675	47	8	dft	dft	NOUN
eurjchem-2675	47	9	)	)	PUNCT
eurjchem-2675	47	10	techniques	technique	NOUN
eurjchem-2675	47	11	offer	offer	VERB
eurjchem-2675	47	12	the	the	DET
eurjchem-2675	47	13	most	most	ADV
eurjchem-2675	47	14	precise	precise	ADJ
eurjchem-2675	47	15	framework	framework	NOUN
eurjchem-2675	47	16	for	for	ADP
eurjchem-2675	47	17	forecasting	forecast	VERB
eurjchem-2675	47	18	the	the	DET
eurjchem-2675	47	19	electrical	electrical	ADJ
eurjchem-2675	47	20	and	and	CCONJ
eurjchem-2675	47	21	structural	structural	ADJ
eurjchem-2675	47	22	characteristics	characteristic	NOUN
eurjchem-2675	47	23	of	of	ADP
eurjchem-2675	47	24	semiconductors	semiconductor	NOUN
eurjchem-2675	47	25	,	,	PUNCT
eurjchem-2675	47	26	addressing	address	VERB
eurjchem-2675	47	27	the	the	DET
eurjchem-2675	47	28	shortcomings	shortcoming	NOUN
eurjchem-2675	47	29	of	of	ADP
eurjchem-2675	47	30	traditional	traditional	ADJ
eurjchem-2675	47	31	dft	dft	NOUN
eurjchem-2675	47	32	methodologies	methodology	NOUN
eurjchem-2675	47	33	[	[	X
eurjchem-2675	47	34	25	25	NUM
eurjchem-2675	47	35	]	]	PUNCT
eurjchem-2675	47	36	.	.	PUNCT
eurjchem-2675	48	1	as	as	ADV
eurjchem-2675	48	2	far	far	ADV
eurjchem-2675	48	3	as	as	SCONJ
eurjchem-2675	48	4	current	current	ADJ
eurjchem-2675	48	5	understanding	understanding	NOUN
eurjchem-2675	48	6	goes	go	VERB
eurjchem-2675	48	7	,	,	PUNCT
eurjchem-2675	48	8	there	there	PRON
eurjchem-2675	48	9	are	be	VERB
eurjchem-2675	48	10	no	no	DET
eurjchem-2675	48	11	theoretical	theoretical	ADJ
eurjchem-2675	48	12	investigations	investigation	NOUN
eurjchem-2675	48	13	into	into	ADP
eurjchem-2675	48	14	its	its	PRON
eurjchem-2675	48	15	physical	physical	ADJ
eurjchem-2675	48	16	properties	property	NOUN
eurjchem-2675	48	17	.	.	PUNCT
eurjchem-2675	49	1	however	however	ADV
eurjchem-2675	49	2	,	,	PUNCT
eurjchem-2675	49	3	one	one	NUM
eurjchem-2675	49	4	of	of	ADP
eurjchem-2675	49	5	the	the	DET
eurjchem-2675	49	6	most	most	ADV
eurjchem-2675	49	7	effective	effective	ADJ
eurjchem-2675	49	8	methods	method	NOUN
eurjchem-2675	49	9	to	to	PART
eurjchem-2675	49	10	perform	perform	VERB
eurjchem-2675	49	11	theoretical	theoretical	ADJ
eurjchem-2675	49	12	assessments	assessment	NOUN
eurjchem-2675	49	13	of	of	ADP
eurjchem-2675	49	14	these	these	DET
eurjchem-2675	49	15	features	feature	NOUN
eurjchem-2675	49	16	is	be	AUX
eurjchem-2675	49	17	first	first	ADJ
eurjchem-2675	49	18	-	-	PUNCT
eurjchem-2675	49	19	principles	principle	NOUN
eurjchem-2675	49	20	computation	computation	NOUN
eurjchem-2675	49	21	.	.	PUNCT
eurjchem-2675	50	1	rapid	rapid	ADJ
eurjchem-2675	50	2	computational	computational	ADJ
eurjchem-2675	50	3	execution	execution	NOUN
eurjchem-2675	50	4	and	and	CCONJ
eurjchem-2675	50	5	somewhat	somewhat	ADV
eurjchem-2675	50	6	precise	precise	ADJ
eurjchem-2675	50	7	predictions	prediction	NOUN
eurjchem-2675	50	8	of	of	ADP
eurjchem-2675	50	9	the	the	DET
eurjchem-2675	50	10	structural	structural	ADJ
eurjchem-2675	50	11	and	and	CCONJ
eurjchem-2675	50	12	energetic	energetic	ADJ
eurjchem-2675	50	13	characteristics	characteristic	NOUN
eurjchem-2675	50	14	of	of	ADP
eurjchem-2675	50	15	various	various	ADJ
eurjchem-2675	50	16	materials	material	NOUN
eurjchem-2675	50	17	are	be	AUX
eurjchem-2675	50	18	the	the	DET
eurjchem-2675	50	19	primary	primary	ADJ
eurjchem-2675	50	20	grounds	ground	NOUN
eurjchem-2675	50	21	for	for	ADP
eurjchem-2675	50	22	the	the	DET
eurjchem-2675	50	23	utilization	utilization	NOUN
eurjchem-2675	50	24	of	of	ADP
eurjchem-2675	50	25	lda	lda	PROPN
eurjchem-2675	50	26	and	and	CCONJ
eurjchem-2675	50	27	gga	gga	NOUN
eurjchem-2675	50	28	functionals	functional	NOUN
eurjchem-2675	50	29	[	[	X
eurjchem-2675	50	30	26	26	NUM
eurjchem-2675	50	31	]	]	PUNCT
eurjchem-2675	50	32	.	.	PUNCT
eurjchem-2675	51	1	in	in	ADP
eurjchem-2675	51	2	this	this	DET
eurjchem-2675	51	3	study	study	NOUN
eurjchem-2675	51	4	,	,	PUNCT
eurjchem-2675	51	5	the	the	DET
eurjchem-2675	51	6	physical	physical	ADJ
eurjchem-2675	51	7	characteristics	characteristic	NOUN
eurjchem-2675	51	8	of	of	ADP
eurjchem-2675	51	9	behfo3	behfo3	NOUN
eurjchem-2675	51	10	perovskite	perovskite	NOUN
eurjchem-2675	51	11	were	be	AUX
eurjchem-2675	51	12	investigated	investigate	VERB
eurjchem-2675	51	13	employing	employ	VERB
eurjchem-2675	51	14	a	a	DET
eurjchem-2675	51	15	variety	variety	NOUN
eurjchem-2675	51	16	of	of	ADP
eurjchem-2675	51	17	exchange	exchange	NOUN
eurjchem-2675	51	18	correlation	correlation	NOUN
eurjchem-2675	51	19	functionals	functional	NOUN
eurjchem-2675	51	20	within	within	ADP
eurjchem-2675	51	21	the	the	DET
eurjchem-2675	51	22	context	context	NOUN
eurjchem-2675	51	23	of	of	ADP
eurjchem-2675	51	24	density	density	NOUN
eurjchem-2675	51	25	functional	functional	ADJ
eurjchem-2675	51	26	theory	theory	NOUN
eurjchem-2675	51	27	(	(	PUNCT
eurjchem-2675	51	28	dft	dft	PROPN
eurjchem-2675	51	29	)	)	PUNCT
eurjchem-2675	51	30	under	under	ADP
eurjchem-2675	51	31	the	the	DET
eurjchem-2675	51	32	castep	castep	NOUN
eurjchem-2675	51	33	module	module	NOUN
eurjchem-2675	51	34	in	in	ADP
eurjchem-2675	51	35	materials	material	NOUN
eurjchem-2675	51	36	studio	studio	NOUN
eurjchem-2675	51	37	.	.	PUNCT
eurjchem-2675	52	1	some	some	PRON
eurjchem-2675	52	2	of	of	ADP
eurjchem-2675	52	3	the	the	DET
eurjchem-2675	52	4	functionals	functional	NOUN
eurjchem-2675	52	5	that	that	PRON
eurjchem-2675	52	6	were	be	AUX
eurjchem-2675	52	7	chosen	choose	VERB
eurjchem-2675	52	8	include	include	VERB
eurjchem-2675	52	9	the	the	DET
eurjchem-2675	52	10	generalized	generalized	ADJ
eurjchem-2675	52	11	gradient	gradient	NOUN
eurjchem-2675	52	12	approximation	approximation	NOUN
eurjchem-2675	52	13	(	(	PUNCT
eurjchem-2675	52	14	gga	gga	PROPN
eurjchem-2675	52	15	)	)	PUNCT
eurjchem-2675	52	16	with	with	ADP
eurjchem-2675	52	17	perdewburke	perdewburke	NOUN
eurjchem-2675	52	18	-	-	PUNCT
eurjchem-2675	52	19	ernzerhof	ernzerhof	NOUN
eurjchem-2675	52	20	(	(	PUNCT
eurjchem-2675	52	21	pbe	pbe	PROPN
eurjchem-2675	52	22	)	)	PUNCT
eurjchem-2675	52	23	,	,	PUNCT
eurjchem-2675	52	24	the	the	DET
eurjchem-2675	52	25	local	local	ADJ
eurjchem-2675	52	26	density	density	NOUN
eurjchem-2675	52	27	approximation	approximation	NOUN
eurjchem-2675	52	28	(	(	PUNCT
eurjchem-2675	52	29	lda	lda	PROPN
eurjchem-2675	52	30	)	)	PUNCT
eurjchem-2675	52	31	with	with	ADP
eurjchem-2675	52	32	ceperley	ceperley	NOUN
eurjchem-2675	52	33	-	-	PUNCT
eurjchem-2675	52	34	alder	alder	NOUN
eurjchem-2675	52	35	and	and	CCONJ
eurjchem-2675	52	36	perdew	perdew	NOUN
eurjchem-2675	52	37	-	-	PUNCT
eurjchem-2675	52	38	zunger	zunger	NOUN
eurjchem-2675	52	39	(	(	PUNCT
eurjchem-2675	52	40	ca	ca	NOUN
eurjchem-2675	52	41	-	-	PUNCT
eurjchem-2675	52	42	pz	pz	NOUN
eurjchem-2675	52	43	)	)	PUNCT
eurjchem-2675	52	44	,	,	PUNCT
eurjchem-2675	52	45	and	and	CCONJ
eurjchem-2675	52	46	the	the	DET
eurjchem-2675	52	47	hybrid	hybrid	ADJ
eurjchem-2675	52	48	hse06	hse06	PROPN
eurjchem-2675	52	49	,	,	PUNCT
eurjchem-2675	52	50	b3lyp	b3lyp	X
eurjchem-2675	52	51	functional	functional	ADJ
eurjchem-2675	52	52	.	.	PUNCT
eurjchem-2675	53	1	the	the	DET
eurjchem-2675	53	2	structural	structural	ADJ
eurjchem-2675	53	3	,	,	PUNCT
eurjchem-2675	53	4	electrical	electrical	ADJ
eurjchem-2675	53	5	,	,	PUNCT
eurjchem-2675	53	6	mechanical	mechanical	ADJ
eurjchem-2675	53	7	,	,	PUNCT
eurjchem-2675	53	8	thermodynamic	thermodynamic	ADJ
eurjchem-2675	53	9	,	,	PUNCT
eurjchem-2675	53	10	and	and	CCONJ
eurjchem-2675	53	11	optical	optical	ADJ
eurjchem-2675	53	12	characteristics	characteristic	NOUN
eurjchem-2675	53	13	of	of	ADP
eurjchem-2675	53	14	the	the	DET
eurjchem-2675	53	15	compound	compound	NOUN
eurjchem-2675	53	16	may	may	AUX
eurjchem-2675	53	17	be	be	AUX
eurjchem-2675	53	18	thoroughly	thoroughly	ADV
eurjchem-2675	53	19	examined	examine	VERB
eurjchem-2675	53	20	using	use	VERB
eurjchem-2675	53	21	this	this	DET
eurjchem-2675	53	22	multifunctional	multifunctional	ADJ
eurjchem-2675	53	23	method	method	NOUN
eurjchem-2675	53	24	,	,	PUNCT
eurjchem-2675	53	25	which	which	PRON
eurjchem-2675	53	26	allows	allow	VERB
eurjchem-2675	53	27	for	for	ADP
eurjchem-2675	53	28	an	an	DET
eurjchem-2675	53	29	evaluation	evaluation	NOUN
eurjchem-2675	53	30	of	of	ADP
eurjchem-2675	53	31	the	the	DET
eurjchem-2675	53	32	changes	change	NOUN
eurjchem-2675	53	33	based	base	VERB
eurjchem-2675	53	34	on	on	ADP
eurjchem-2675	53	35	the	the	DET
eurjchem-2675	53	36	functions	function	NOUN
eurjchem-2675	53	37	.	.	PUNCT
eurjchem-2675	54	1	each	each	DET
eurjchem-2675	54	2	function	function	NOUN
eurjchem-2675	54	3	affects	affect	VERB
eurjchem-2675	54	4	the	the	DET
eurjchem-2675	54	5	precision	precision	NOUN
eurjchem-2675	54	6	of	of	ADP
eurjchem-2675	54	7	the	the	DET
eurjchem-2675	54	8	findings	finding	NOUN
eurjchem-2675	54	9	in	in	ADP
eurjchem-2675	54	10	a	a	DET
eurjchem-2675	54	11	distinct	distinct	ADJ
eurjchem-2675	54	12	way	way	NOUN
eurjchem-2675	54	13	.	.	PUNCT
eurjchem-2675	55	1	gga	gga	NOUN
eurjchem-2675	55	2	-	-	PUNCT
eurjchem-2675	55	3	pbe	pbe	PROPN
eurjchem-2675	55	4	and	and	CCONJ
eurjchem-2675	55	5	its	its	PRON
eurjchem-2675	55	6	variations	variation	NOUN
eurjchem-2675	55	7	(	(	PUNCT
eurjchem-2675	55	8	rpbe	rpbe	ADJ
eurjchem-2675	55	9	and	and	CCONJ
eurjchem-2675	55	10	pbesol	pbesol	ADJ
eurjchem-2675	55	11	)	)	PUNCT
eurjchem-2675	55	12	are	be	AUX
eurjchem-2675	55	13	widely	widely	ADV
eurjchem-2675	55	14	utilized	utilize	VERB
eurjchem-2675	55	15	to	to	PART
eurjchem-2675	55	16	predict	predict	VERB
eurjchem-2675	55	17	structural	structural	ADJ
eurjchem-2675	55	18	and	and	CCONJ
eurjchem-2675	55	19	elastic	elastic	ADJ
eurjchem-2675	55	20	characteristics	characteristic	NOUN
eurjchem-2675	55	21	;	;	PUNCT
eurjchem-2675	55	22	nevertheless	nevertheless	ADV
eurjchem-2675	55	23	,	,	PUNCT
eurjchem-2675	55	24	they	they	PRON
eurjchem-2675	55	25	often	often	ADV
eurjchem-2675	55	26	underestimate	underestimate	VERB
eurjchem-2675	55	27	band	band	NOUN
eurjchem-2675	55	28	gaps	gap	NOUN
eurjchem-2675	55	29	and	and	CCONJ
eurjchem-2675	55	30	marginally	marginally	ADV
eurjchem-2675	55	31	overestimate	overestimate	ADJ
eurjchem-2675	55	32	lattice	lattice	PROPN
eurjchem-2675	55	33	parameters	parameter	NOUN
eurjchem-2675	55	34	.	.	PUNCT
eurjchem-2675	56	1	lda	lda	PROPN
eurjchem-2675	56	2	(	(	PUNCT
eurjchem-2675	56	3	ca	ca	NOUN
eurjchem-2675	56	4	-	-	PUNCT
eurjchem-2675	56	5	pz	pz	NOUN
eurjchem-2675	56	6	)	)	PUNCT
eurjchem-2675	56	7	often	often	ADV
eurjchem-2675	56	8	yields	yield	VERB
eurjchem-2675	56	9	more	more	ADJ
eurjchem-2675	56	10	compact	compact	ADJ
eurjchem-2675	56	11	structures	structure	NOUN
eurjchem-2675	56	12	,	,	PUNCT
eurjchem-2675	56	13	owing	owe	VERB
eurjchem-2675	56	14	to	to	ADP
eurjchem-2675	56	15	its	its	PRON
eurjchem-2675	56	16	underestimating	underestimating	NOUN
eurjchem-2675	56	17	of	of	ADP
eurjchem-2675	56	18	lattice	lattice	NOUN
eurjchem-2675	56	19	constants	constant	NOUN
eurjchem-2675	56	20	.	.	PUNCT
eurjchem-2675	57	1	on	on	ADP
eurjchem-2675	57	2	the	the	DET
eurjchem-2675	57	3	contrary	contrary	NOUN
eurjchem-2675	57	4	,	,	PUNCT
eurjchem-2675	57	5	the	the	DET
eurjchem-2675	57	6	hse06	hse06	PROPN
eurjchem-2675	57	7	and	and	CCONJ
eurjchem-2675	57	8	b3lyp	b3lyp	NUM
eurjchem-2675	57	9	hybrid	hybrid	ADJ
eurjchem-2675	57	10	functional	functional	NOUN
eurjchem-2675	57	11	,	,	PUNCT
eurjchem-2675	57	12	which	which	PRON
eurjchem-2675	57	13	includes	include	VERB
eurjchem-2675	57	14	a	a	DET
eurjchem-2675	57	15	fraction	fraction	NOUN
eurjchem-2675	57	16	of	of	ADP
eurjchem-2675	57	17	exact	exact	ADJ
eurjchem-2675	57	18	exchange	exchange	NOUN
eurjchem-2675	57	19	,	,	PUNCT
eurjchem-2675	57	20	yields	yield	VERB
eurjchem-2675	57	21	more	more	ADV
eurjchem-2675	57	22	precise	precise	ADJ
eurjchem-2675	57	23	electronic	electronic	ADJ
eurjchem-2675	57	24	structure	structure	NOUN
eurjchem-2675	57	25	predictions	prediction	NOUN
eurjchem-2675	57	26	,	,	PUNCT
eurjchem-2675	57	27	especially	especially	ADV
eurjchem-2675	57	28	for	for	ADP
eurjchem-2675	57	29	band	band	NOUN
eurjchem-2675	57	30	gap	gap	NOUN
eurjchem-2675	57	31	values	value	NOUN
eurjchem-2675	57	32	,	,	PUNCT
eurjchem-2675	57	33	while	while	SCONJ
eurjchem-2675	57	34	it	it	PRON
eurjchem-2675	57	35	incurs	incur	VERB
eurjchem-2675	57	36	a	a	DET
eurjchem-2675	57	37	greater	great	ADJ
eurjchem-2675	57	38	computational	computational	ADJ
eurjchem-2675	57	39	expense	expense	NOUN
eurjchem-2675	57	40	.	.	PUNCT
eurjchem-2675	58	1	the	the	DET
eurjchem-2675	58	2	use	use	NOUN
eurjchem-2675	58	3	of	of	ADP
eurjchem-2675	58	4	several	several	ADJ
eurjchem-2675	58	5	functionals	functional	NOUN
eurjchem-2675	58	6	enhances	enhance	VERB
eurjchem-2675	58	7	the	the	DET
eurjchem-2675	58	8	dependability	dependability	NOUN
eurjchem-2675	58	9	of	of	ADP
eurjchem-2675	58	10	results	result	NOUN
eurjchem-2675	58	11	and	and	CCONJ
eurjchem-2675	58	12	elucidates	elucidate	VERB
eurjchem-2675	58	13	the	the	DET
eurjchem-2675	58	14	sensitivity	sensitivity	NOUN
eurjchem-2675	58	15	of	of	ADP
eurjchem-2675	58	16	anticipated	anticipate	VERB
eurjchem-2675	58	17	features	feature	NOUN
eurjchem-2675	58	18	to	to	ADP
eurjchem-2675	58	19	the	the	DET
eurjchem-2675	58	20	selection	selection	NOUN
eurjchem-2675	58	21	of	of	ADP
eurjchem-2675	58	22	an	an	DET
eurjchem-2675	58	23	exchange	exchange	NOUN
eurjchem-2675	58	24	-	-	PUNCT
eurjchem-2675	58	25	correlation	correlation	NOUN
eurjchem-2675	58	26	functional	functional	ADJ
eurjchem-2675	58	27	,	,	PUNCT
eurjchem-2675	58	28	hence	hence	ADV
eurjchem-2675	58	29	facilitating	facilitate	VERB
eurjchem-2675	58	30	a	a	DET
eurjchem-2675	58	31	more	more	ADV
eurjchem-2675	58	32	robust	robust	ADJ
eurjchem-2675	58	33	interpretation	interpretation	NOUN
eurjchem-2675	58	34	of	of	ADP
eurjchem-2675	58	35	material	material	ADJ
eurjchem-2675	58	36	behavior	behavior	NOUN
eurjchem-2675	58	37	.	.	PUNCT
eurjchem-2675	59	1	2	2	X
eurjchem-2675	59	2	.	.	X
eurjchem-2675	59	3	computational	computational	ADJ
eurjchem-2675	59	4	method	method	NOUN
eurjchem-2675	59	5	the	the	DET
eurjchem-2675	59	6	ab	ab	PROPN
eurjchem-2675	59	7	initio	initio	NOUN
eurjchem-2675	59	8	calculations	calculation	NOUN
eurjchem-2675	59	9	in	in	ADP
eurjchem-2675	59	10	this	this	DET
eurjchem-2675	59	11	study	study	NOUN
eurjchem-2675	59	12	were	be	AUX
eurjchem-2675	59	13	performed	perform	VERB
eurjchem-2675	59	14	using	use	VERB
eurjchem-2675	59	15	the	the	DET
eurjchem-2675	59	16	castep	castep	NOUN
eurjchem-2675	59	17	code	code	NOUN
eurjchem-2675	59	18	within	within	ADP
eurjchem-2675	59	19	the	the	DET
eurjchem-2675	59	20	materials	material	NOUN
eurjchem-2675	59	21	studio	studio	NOUN
eurjchem-2675	59	22	package	package	NOUN
eurjchem-2675	59	23	.	.	PUNCT
eurjchem-2675	60	1	a	a	DET
eurjchem-2675	60	2	plane	plane	NOUN
eurjchem-2675	60	3	-	-	PUNCT
eurjchem-2675	60	4	wave	wave	NOUN
eurjchem-2675	60	5	basis	basis	NOUN
eurjchem-2675	60	6	set	set	VERB
eurjchem-2675	60	7	with	with	ADP
eurjchem-2675	60	8	a	a	DET
eurjchem-2675	60	9	cutoff	cutoff	NOUN
eurjchem-2675	60	10	energy	energy	NOUN
eurjchem-2675	60	11	of	of	ADP
eurjchem-2675	60	12	450	450	NUM
eurjchem-2675	60	13	ev	ev	NOUN
eurjchem-2675	60	14	was	be	AUX
eurjchem-2675	60	15	used	use	VERB
eurjchem-2675	60	16	along	along	ADP
eurjchem-2675	60	17	with	with	ADP
eurjchem-2675	60	18	norm	norm	NOUN
eurjchem-2675	60	19	-	-	PUNCT
eurjchem-2675	60	20	conserving	conserve	VERB
eurjchem-2675	60	21	pseudopotentials	pseudopotential	NOUN
eurjchem-2675	60	22	.	.	PUNCT
eurjchem-2675	61	1	a	a	DET
eurjchem-2675	61	2	6	6	NUM
eurjchem-2675	61	3	×	×	NOUN
eurjchem-2675	61	4	6	6	NUM
eurjchem-2675	61	5	×	×	NOUN
eurjchem-2675	61	6	6	6	NUM
eurjchem-2675	61	7	monkhorst	monkhorst	NOUN
eurjchem-2675	61	8	–	–	PUNCT
eurjchem-2675	61	9	pack	pack	NOUN
eurjchem-2675	61	10	k	k	NOUN
eurjchem-2675	61	11	-	-	PUNCT
eurjchem-2675	61	12	point	point	NOUN
eurjchem-2675	61	13	grid	grid	NOUN
eurjchem-2675	61	14	was	be	AUX
eurjchem-2675	61	15	employed	employ	VERB
eurjchem-2675	61	16	to	to	PART
eurjchem-2675	61	17	ensure	ensure	VERB
eurjchem-2675	61	18	accurate	accurate	ADJ
eurjchem-2675	61	19	brillouin	brillouin	NOUN
eurjchem-2675	61	20	zone	zone	NOUN
eurjchem-2675	61	21	sampling	sample	VERB
eurjchem-2675	61	22	.	.	PUNCT
eurjchem-2675	62	1	the	the	DET
eurjchem-2675	62	2	geometry	geometry	NOUN
eurjchem-2675	62	3	optimization	optimization	NOUN
eurjchem-2675	62	4	convergence	convergence	NOUN
eurjchem-2675	62	5	criteria	criterion	NOUN
eurjchem-2675	62	6	were	be	AUX
eurjchem-2675	62	7	found	find	VERB
eurjchem-2675	62	8	to	to	PART
eurjchem-2675	62	9	be	be	AUX
eurjchem-2675	62	10	total	total	ADJ
eurjchem-2675	62	11	energy	energy	NOUN
eurjchem-2675	62	12	tolerance	tolerance	NOUN
eurjchem-2675	62	13	:	:	PUNCT
eurjchem-2675	62	14	2.0×10	2.0×10	X
eurjchem-2675	62	15	-	-	SYM
eurjchem-2675	62	16	4	4	NUM
eurjchem-2675	62	17	ev	ev	NOUN
eurjchem-2675	62	18	/	/	SYM
eurjchem-2675	62	19	atom	atom	NOUN
eurjchem-2675	62	20	,	,	PUNCT
eurjchem-2675	62	21	maximum	maximum	ADJ
eurjchem-2675	62	22	ionic	ionic	ADJ
eurjchem-2675	62	23	force	force	NOUN
eurjchem-2675	62	24	:	:	PUNCT
eurjchem-2675	62	25	5.0×10	5.0×10	NUM
eurjchem-2675	62	26	-	-	SYM
eurjchem-2675	62	27	2	2	NUM
eurjchem-2675	62	28	ev	ev	NOUN
eurjchem-2675	62	29	/	/	SYM
eurjchem-2675	62	30	å	å	PROPN
eurjchem-2675	62	31	,	,	PUNCT
eurjchem-2675	62	32	maximum	maximum	ADJ
eurjchem-2675	62	33	stress	stress	NOUN
eurjchem-2675	62	34	:	:	PUNCT
eurjchem-2675	62	35	1.0×10	1.0×10	NUM
eurjchem-2675	62	36	-	-	SYM
eurjchem-2675	62	37	1	1	NUM
eurjchem-2675	62	38	gpa	gpa	PROPN
eurjchem-2675	62	39	,	,	PUNCT
eurjchem-2675	62	40	maximum	maximum	ADJ
eurjchem-2675	62	41	atomic	atomic	ADJ
eurjchem-2675	62	42	displacement	displacement	NOUN
eurjchem-2675	62	43	:	:	PUNCT
eurjchem-2675	62	44	2.0×10	2.0×10	X
eurjchem-2675	62	45	-	-	SYM
eurjchem-2675	62	46	3	3	NUM
eurjchem-2675	62	47	å	å	NOUN
eurjchem-2675	62	48	.	.	NOUN
eurjchem-2675	63	1	3	3	X
eurjchem-2675	63	2	.	.	NOUN
eurjchem-2675	63	3	results	result	NOUN
eurjchem-2675	63	4	and	and	CCONJ
eurjchem-2675	63	5	discussion	discussion	NOUN
eurjchem-2675	63	6	3.1	3.1	NUM
eurjchem-2675	63	7	.	.	PUNCT
eurjchem-2675	64	1	optimization	optimization	NOUN
eurjchem-2675	64	2	of	of	ADP
eurjchem-2675	64	3	crystal	crystal	NOUN
eurjchem-2675	64	4	structure	structure	NOUN
eurjchem-2675	64	5	we	we	PRON
eurjchem-2675	64	6	performed	perform	VERB
eurjchem-2675	64	7	full	full	ADJ
eurjchem-2675	64	8	structural	structural	ADJ
eurjchem-2675	64	9	optimization	optimization	NOUN
eurjchem-2675	64	10	of	of	ADP
eurjchem-2675	64	11	the	the	DET
eurjchem-2675	64	12	behfo3	behfo3	NOUN
eurjchem-2675	64	13	crystal	crystal	PROPN
eurjchem-2675	64	14	prior	prior	ADV
eurjchem-2675	64	15	to	to	ADP
eurjchem-2675	64	16	dft	dft	PROPN
eurjchem-2675	64	17	calculations	calculation	NOUN
eurjchem-2675	64	18	.	.	PUNCT
eurjchem-2675	65	1	the	the	DET
eurjchem-2675	65	2	initial	initial	ADJ
eurjchem-2675	65	3	lattice	lattice	NOUN
eurjchem-2675	65	4	parameters	parameter	NOUN
eurjchem-2675	65	5	(	(	PUNCT
eurjchem-2675	65	6	a	a	DET
eurjchem-2675	65	7	=	=	X
eurjchem-2675	65	8	b	b	NOUN
eurjchem-2675	65	9	=	=	SYM
eurjchem-2675	65	10	c	c	NOUN
eurjchem-2675	65	11	=	=	SYM
eurjchem-2675	65	12	3.780	3.780	NUM
eurjchem-2675	65	13	å	å	NOUN
eurjchem-2675	65	14	;	;	PUNCT
eurjchem-2675	65	15	α	α	X
eurjchem-2675	65	16	=	=	PUNCT
eurjchem-2675	65	17	β	β	X
eurjchem-2675	65	18	=	=	PUNCT
eurjchem-2675	65	19	γ	γ	X
eurjchem-2675	65	20	=	=	SYM
eurjchem-2675	65	21	90	90	NUM
eurjchem-2675	65	22	°	°	NUM
eurjchem-2675	65	23	)	)	PUNCT
eurjchem-2675	65	24	were	be	AUX
eurjchem-2675	65	25	taken	take	VERB
eurjchem-2675	65	26	from	from	ADP
eurjchem-2675	65	27	previous	previous	ADJ
eurjchem-2675	65	28	literature	literature	NOUN
eurjchem-2675	65	29	[	[	X
eurjchem-2675	65	30	20	20	NUM
eurjchem-2675	65	31	]	]	PUNCT
eurjchem-2675	65	32	,	,	PUNCT
eurjchem-2675	65	33	and	and	CCONJ
eurjchem-2675	65	34	the	the	DET
eurjchem-2675	65	35	structure	structure	NOUN
eurjchem-2675	65	36	was	be	AUX
eurjchem-2675	65	37	optimized	optimize	VERB
eurjchem-2675	65	38	to	to	ADP
eurjchem-2675	65	39	its	its	PRON
eurjchem-2675	65	40	ground	ground	NOUN
eurjchem-2675	65	41	state	state	NOUN
eurjchem-2675	65	42	using	use	VERB
eurjchem-2675	65	43	dft	dft	PROPN
eurjchem-2675	65	44	.	.	PUNCT
eurjchem-2675	66	1	the	the	DET
eurjchem-2675	66	2	final	final	ADJ
eurjchem-2675	66	3	configuration	configuration	NOUN
eurjchem-2675	66	4	retained	retain	VERB
eurjchem-2675	66	5	the	the	DET
eurjchem-2675	66	6	cubic	cubic	ADJ
eurjchem-2675	66	7	symmetry	symmetry	NOUN
eurjchem-2675	66	8	(	(	PUNCT
eurjchem-2675	66	9	space	space	NOUN
eurjchem-2675	66	10	group	group	NOUN
eurjchem-2675	66	11	pm3	pm3	PROPN
eurjchem-2675	66	12	-	-	PROPN
eurjchem-2675	66	13	m	m	PROPN
eurjchem-2675	66	14	[	[	X
eurjchem-2675	66	15	221	221	NUM
eurjchem-2675	66	16	]	]	PUNCT
eurjchem-2675	66	17	)	)	PUNCT
eurjchem-2675	66	18	,	,	PUNCT
eurjchem-2675	66	19	confirming	confirm	VERB
eurjchem-2675	66	20	the	the	DET
eurjchem-2675	66	21	stability	stability	NOUN
eurjchem-2675	66	22	of	of	ADP
eurjchem-2675	66	23	the	the	DET
eurjchem-2675	66	24	structure	structure	NOUN
eurjchem-2675	66	25	.	.	PUNCT
eurjchem-2675	67	1	this	this	DET
eurjchem-2675	67	2	procedure	procedure	NOUN
eurjchem-2675	67	3	ensures	ensure	VERB
eurjchem-2675	67	4	the	the	DET
eurjchem-2675	67	5	reliability	reliability	NOUN
eurjchem-2675	67	6	of	of	ADP
eurjchem-2675	67	7	the	the	DET
eurjchem-2675	67	8	calculated	calculate	VERB
eurjchem-2675	67	9	properties	property	NOUN
eurjchem-2675	67	10	.	.	PUNCT
eurjchem-2675	68	1	the	the	DET
eurjchem-2675	68	2	hall	hall	NOUN
eurjchem-2675	68	3	symbol	symbol	NOUN
eurjchem-2675	68	4	-p423	-p423	NOUN
eurjchem-2675	68	5	represents	represent	VERB
eurjchem-2675	68	6	the	the	DET
eurjchem-2675	68	7	crystal	crystal	NOUN
eurjchem-2675	68	8	system	system	NOUN
eurjchem-2675	68	9	,	,	PUNCT
eurjchem-2675	68	10	providing	provide	VERB
eurjchem-2675	68	11	further	further	ADJ
eurjchem-2675	68	12	information	information	NOUN
eurjchem-2675	68	13	about	about	ADP
eurjchem-2675	68	14	it	it	PRON
eurjchem-2675	68	15	.	.	PUNCT
eurjchem-2675	69	1	the	the	DET
eurjchem-2675	69	2	conclusive	conclusive	ADJ
eurjchem-2675	69	3	configuration	configuration	NOUN
eurjchem-2675	69	4	of	of	ADP
eurjchem-2675	69	5	the	the	DET
eurjchem-2675	69	6	behfo3	behfo3	NOUN
eurjchem-2675	69	7	crystals	crystal	NOUN
eurjchem-2675	69	8	is	be	AUX
eurjchem-2675	69	9	showed	show	VERB
eurjchem-2675	69	10	in	in	ADP
eurjchem-2675	69	11	table	table	NOUN
eurjchem-2675	69	12	1	1	NUM
eurjchem-2675	69	13	and	and	CCONJ
eurjchem-2675	69	14	illustrated	illustrate	VERB
eurjchem-2675	69	15	in	in	ADP
eurjchem-2675	69	16	figure	figure	NOUN
eurjchem-2675	69	17	1	1	NUM
eurjchem-2675	69	18	.	.	PUNCT
eurjchem-2675	70	1	the	the	DET
eurjchem-2675	70	2	data	datum	NOUN
eurjchem-2675	70	3	presented	present	VERB
eurjchem-2675	70	4	in	in	ADP
eurjchem-2675	70	5	table	table	NOUN
eurjchem-2675	70	6	1	1	NUM
eurjchem-2675	70	7	were	be	AUX
eurjchem-2675	70	8	obtained	obtain	VERB
eurjchem-2675	70	9	through	through	ADP
eurjchem-2675	70	10	full	full	ADJ
eurjchem-2675	70	11	structural	structural	ADJ
eurjchem-2675	70	12	optimization	optimization	NOUN
eurjchem-2675	70	13	of	of	ADP
eurjchem-2675	70	14	the	the	DET
eurjchem-2675	70	15	behfo3	behfo3	NOUN
eurjchem-2675	70	16	crystal	crystal	NOUN
eurjchem-2675	70	17	using	use	VERB
eurjchem-2675	70	18	density	density	NOUN
eurjchem-2675	70	19	functional	functional	ADJ
eurjchem-2675	70	20	theory	theory	NOUN
eurjchem-2675	70	21	(	(	PUNCT
eurjchem-2675	70	22	dft	dft	PROPN
eurjchem-2675	70	23	)	)	PUNCT
eurjchem-2675	70	24	with	with	ADP
eurjchem-2675	70	25	different	different	ADJ
eurjchem-2675	70	26	exchange	exchange	NOUN
eurjchem-2675	70	27	-	-	PUNCT
eurjchem-2675	70	28	correlation	correlation	NOUN
eurjchem-2675	70	29	functionals	functional	NOUN
eurjchem-2675	70	30	(	(	PUNCT
eurjchem-2675	70	31	pbe	pbe	PROPN
eurjchem-2675	70	32	,	,	PUNCT
eurjchem-2675	70	33	rpbe	rpbe	PROPN
eurjchem-2675	70	34	,	,	PUNCT
eurjchem-2675	70	35	pbesol	pbesol	ADJ
eurjchem-2675	70	36	,	,	PUNCT
eurjchem-2675	70	37	lda	lda	PROPN
eurjchem-2675	70	38	,	,	PUNCT
eurjchem-2675	70	39	and	and	CCONJ
eurjchem-2675	70	40	b3lyp	b3lyp	NUM
eurjchem-2675	70	41	)	)	PUNCT
eurjchem-2675	70	42	.	.	PUNCT
eurjchem-2675	71	1	the	the	DET
eurjchem-2675	71	2	initial	initial	ADJ
eurjchem-2675	71	3	lattice	lattice	NOUN
eurjchem-2675	71	4	parameters	parameter	NOUN
eurjchem-2675	71	5	(	(	PUNCT
eurjchem-2675	71	6	a	a	DET
eurjchem-2675	71	7	=	=	X
eurjchem-2675	71	8	b	b	NOUN
eurjchem-2675	71	9	=	=	SYM
eurjchem-2675	71	10	c	c	NOUN
eurjchem-2675	71	11	=	=	SYM
eurjchem-2675	71	12	3.780	3.780	NUM
eurjchem-2675	71	13	å	å	NOUN
eurjchem-2675	71	14	)	)	PUNCT
eurjchem-2675	71	15	were	be	AUX
eurjchem-2675	71	16	taken	take	VERB
eurjchem-2675	71	17	from	from	ADP
eurjchem-2675	71	18	the	the	DET
eurjchem-2675	71	19	literature	literature	NOUN
eurjchem-2675	71	20	[	[	X
eurjchem-2675	71	21	20	20	NUM
eurjchem-2675	71	22	]	]	PUNCT
eurjchem-2675	71	23	,	,	PUNCT
eurjchem-2675	71	24	and	and	CCONJ
eurjchem-2675	71	25	each	each	DET
eurjchem-2675	71	26	structure	structure	NOUN
eurjchem-2675	71	27	was	be	AUX
eurjchem-2675	71	28	relaxed	relax	VERB
eurjchem-2675	71	29	to	to	ADP
eurjchem-2675	71	30	its	its	PRON
eurjchem-2675	71	31	ground	ground	NOUN
eurjchem-2675	71	32	state	state	NOUN
eurjchem-2675	71	33	by	by	ADP
eurjchem-2675	71	34	minimizing	minimize	VERB
eurjchem-2675	71	35	the	the	DET
eurjchem-2675	71	36	total	total	ADJ
eurjchem-2675	71	37	energy	energy	NOUN
eurjchem-2675	71	38	and	and	CCONJ
eurjchem-2675	71	39	atomic	atomic	ADJ
eurjchem-2675	71	40	forces	force	NOUN
eurjchem-2675	71	41	.	.	PUNCT
eurjchem-2675	72	1	for	for	ADP
eurjchem-2675	72	2	each	each	DET
eurjchem-2675	72	3	functional	functional	ADJ
eurjchem-2675	72	4	,	,	PUNCT
eurjchem-2675	72	5	we	we	PRON
eurjchem-2675	72	6	report	report	VERB
eurjchem-2675	72	7	the	the	DET
eurjchem-2675	72	8	optimized	optimize	VERB
eurjchem-2675	72	9	lattice	lattice	NOUN
eurjchem-2675	72	10	parameter	parameter	NOUN
eurjchem-2675	72	11	(	(	PUNCT
eurjchem-2675	72	12	a	a	DET
eurjchem-2675	72	13	=	=	SYM
eurjchem-2675	72	14	b	b	NOUN
eurjchem-2675	72	15	=	=	SYM
eurjchem-2675	72	16	c	c	NOUN
eurjchem-2675	72	17	)	)	PUNCT
eurjchem-2675	72	18	,	,	PUNCT
eurjchem-2675	72	19	the	the	DET
eurjchem-2675	72	20	corresponding	correspond	VERB
eurjchem-2675	72	21	cell	cell	NOUN
eurjchem-2675	72	22	volume	volume	NOUN
eurjchem-2675	72	23	after	after	ADP
eurjchem-2675	72	24	relaxation	relaxation	NOUN
eurjchem-2675	72	25	,	,	PUNCT
eurjchem-2675	72	26	and	and	CCONJ
eurjchem-2675	72	27	the	the	DET
eurjchem-2675	72	28	final	final	ADJ
eurjchem-2675	72	29	total	total	ADJ
eurjchem-2675	72	30	energy	energy	NOUN
eurjchem-2675	72	31	.	.	PUNCT
eurjchem-2675	73	1	294	294	NUM
eurjchem-2675	73	2	al	al	PROPN
eurjchem-2675	73	3	masud	masud	PROPN
eurjchem-2675	73	4	et	et	PROPN
eurjchem-2675	73	5	al	al	PROPN
eurjchem-2675	73	6	.	.	PUNCT
eurjchem-2675	73	7	/	/	SYM
eurjchem-2675	73	8	european	european	PROPN
eurjchem-2675	73	9	journal	journal	PROPN
eurjchem-2675	73	10	of	of	ADP
eurjchem-2675	73	11	chemistry	chemistry	NOUN
eurjchem-2675	73	12	16	16	NUM
eurjchem-2675	73	13	(	(	PUNCT
eurjchem-2675	73	14	3	3	NUM
eurjchem-2675	73	15	)	)	PUNCT
eurjchem-2675	73	16	(	(	PUNCT
eurjchem-2675	73	17	2025	2025	NUM
eurjchem-2675	73	18	)	)	PUNCT
eurjchem-2675	73	19	292	292	NUM
eurjchem-2675	73	20	-	-	SYM
eurjchem-2675	73	21	301	301	NUM
eurjchem-2675	73	22	2025	2025	NUM
eurjchem-2675	73	23	–	–	PUNCT
eurjchem-2675	73	24	european	european	ADJ
eurjchem-2675	73	25	journal	journal	NOUN
eurjchem-2675	73	26	of	of	ADP
eurjchem-2675	73	27	chemistry	chemistry	NOUN
eurjchem-2675	73	28	–	–	PUNCT
eurjchem-2675	73	29	cc	cc	NOUN
eurjchem-2675	73	30	by	by	ADP
eurjchem-2675	73	31	nc	nc	PROPN
eurjchem-2675	73	32	–	–	PUNCT
eurjchem-2675	73	33	doi	doi	NOUN
eurjchem-2675	73	34	:	:	PUNCT
eurjchem-2675	73	35	10.5155	10.5155	NUM
eurjchem-2675	73	36	/	/	SYM
eurjchem-2675	73	37	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	73	38	-	-	SYM
eurjchem-2675	73	39	301.2675	301.2675	NUM
eurjchem-2675	73	40	table	table	NOUN
eurjchem-2675	73	41	2	2	NUM
eurjchem-2675	73	42	.	.	PUNCT
eurjchem-2675	73	43	band	band	NOUN
eurjchem-2675	73	44	gap	gap	NOUN
eurjchem-2675	73	45	values	value	NOUN
eurjchem-2675	73	46	of	of	ADP
eurjchem-2675	73	47	the	the	DET
eurjchem-2675	73	48	behfo3	behfo3	NOUN
eurjchem-2675	73	49	crystal	crystal	PROPN
eurjchem-2675	73	50	.	.	PUNCT
eurjchem-2675	74	1	band	band	NOUN
eurjchem-2675	74	2	gap	gap	NOUN
eurjchem-2675	74	3	energy	energy	NOUN
eurjchem-2675	74	4	(	(	PUNCT
eurjchem-2675	74	5	ev	ev	NOUN
eurjchem-2675	74	6	)	)	PUNCT
eurjchem-2675	74	7	pbe	pbe	PROPN
eurjchem-2675	74	8	rpbe	rpbe	PROPN
eurjchem-2675	74	9	pbe	pbe	PROPN
eurjchem-2675	74	10	sol	sol	PROPN
eurjchem-2675	74	11	lda	lda	PROPN
eurjchem-2675	74	12	hse06	hse06	PROPN
eurjchem-2675	74	13	b3lyp	b3lyp	PROPN
eurjchem-2675	74	14	0.873	0.873	NUM
eurjchem-2675	74	15	0.887	0.887	NUM
eurjchem-2675	74	16	0.781	0.781	NUM
eurjchem-2675	74	17	0.890	0.890	NUM
eurjchem-2675	74	18	1.71	1.71	NUM
eurjchem-2675	74	19	2.925	2.925	NUM
eurjchem-2675	74	20	figure	figure	NOUN
eurjchem-2675	74	21	1	1	NUM
eurjchem-2675	74	22	.	.	PUNCT
eurjchem-2675	75	1	structure	structure	NOUN
eurjchem-2675	75	2	(	(	PUNCT
eurjchem-2675	75	3	ball	ball	NOUN
eurjchem-2675	75	4	and	and	CCONJ
eurjchem-2675	75	5	stick	stick	NOUN
eurjchem-2675	75	6	)	)	PUNCT
eurjchem-2675	75	7	of	of	ADP
eurjchem-2675	75	8	cubic	cubic	PROPN
eurjchem-2675	75	9	behfo3	behfo3	PROPN
eurjchem-2675	75	10	crystal	crystal	PROPN
eurjchem-2675	75	11	.	.	PUNCT
eurjchem-2675	76	1	figure	figure	NOUN
eurjchem-2675	76	2	2	2	NUM
eurjchem-2675	76	3	.	.	PUNCT
eurjchem-2675	76	4	band	band	NOUN
eurjchem-2675	76	5	structure	structure	NOUN
eurjchem-2675	76	6	of	of	ADP
eurjchem-2675	76	7	behfo3	behfo3	NOUN
eurjchem-2675	77	1	using	use	VERB
eurjchem-2675	77	2	(	(	PUNCT
eurjchem-2675	77	3	a	a	PRON
eurjchem-2675	77	4	)	)	PUNCT
eurjchem-2675	77	5	pbe	pbe	PROPN
eurjchem-2675	77	6	,	,	PUNCT
eurjchem-2675	77	7	(	(	PUNCT
eurjchem-2675	77	8	b	b	NOUN
eurjchem-2675	77	9	)	)	PUNCT
eurjchem-2675	77	10	rpbe	rpbe	NOUN
eurjchem-2675	77	11	,	,	PUNCT
eurjchem-2675	77	12	(	(	PUNCT
eurjchem-2675	77	13	c	c	X
eurjchem-2675	77	14	)	)	PUNCT
eurjchem-2675	77	15	pbesol	pbesol	NOUN
eurjchem-2675	77	16	and	and	CCONJ
eurjchem-2675	77	17	(	(	PUNCT
eurjchem-2675	77	18	d	d	X
eurjchem-2675	77	19	)	)	PUNCT
eurjchem-2675	77	20	lda	lda	PROPN
eurjchem-2675	77	21	techniques	technique	NOUN
eurjchem-2675	77	22	.	.	PUNCT
eurjchem-2675	78	1	the	the	DET
eurjchem-2675	78	2	initial	initial	ADJ
eurjchem-2675	78	3	cell	cell	NOUN
eurjchem-2675	78	4	volume	volume	NOUN
eurjchem-2675	78	5	(	(	PUNCT
eurjchem-2675	78	6	54.010	54.010	NUM
eurjchem-2675	78	7	å3	å3	NOUN
eurjchem-2675	78	8	)	)	PUNCT
eurjchem-2675	78	9	was	be	AUX
eurjchem-2675	78	10	calculated	calculate	VERB
eurjchem-2675	78	11	based	base	VERB
eurjchem-2675	78	12	on	on	ADP
eurjchem-2675	78	13	the	the	DET
eurjchem-2675	78	14	non	non	ADJ
eurjchem-2675	78	15	-	-	ADJ
eurjchem-2675	78	16	optimized	optimize	VERB
eurjchem-2675	78	17	lattice	lattice	NOUN
eurjchem-2675	78	18	parameter	parameter	NOUN
eurjchem-2675	78	19	,	,	PUNCT
eurjchem-2675	78	20	and	and	CCONJ
eurjchem-2675	78	21	the	the	DET
eurjchem-2675	78	22	changes	change	NOUN
eurjchem-2675	78	23	after	after	ADP
eurjchem-2675	78	24	optimization	optimization	NOUN
eurjchem-2675	78	25	reflect	reflect	VERB
eurjchem-2675	78	26	the	the	DET
eurjchem-2675	78	27	degree	degree	NOUN
eurjchem-2675	78	28	of	of	ADP
eurjchem-2675	78	29	structural	structural	ADJ
eurjchem-2675	78	30	relaxation	relaxation	NOUN
eurjchem-2675	78	31	.	.	PUNCT
eurjchem-2675	79	1	these	these	DET
eurjchem-2675	79	2	calculations	calculation	NOUN
eurjchem-2675	79	3	confirm	confirm	VERB
eurjchem-2675	79	4	the	the	DET
eurjchem-2675	79	5	most	most	ADV
eurjchem-2675	79	6	stable	stable	ADJ
eurjchem-2675	79	7	structure	structure	NOUN
eurjchem-2675	79	8	and	and	CCONJ
eurjchem-2675	79	9	ensure	ensure	VERB
eurjchem-2675	79	10	the	the	DET
eurjchem-2675	79	11	reliability	reliability	NOUN
eurjchem-2675	79	12	of	of	ADP
eurjchem-2675	79	13	further	further	ADJ
eurjchem-2675	79	14	property	property	NOUN
eurjchem-2675	79	15	predictions	prediction	NOUN
eurjchem-2675	79	16	.	.	PUNCT
eurjchem-2675	80	1	3.2	3.2	NUM
eurjchem-2675	80	2	.	.	PUNCT
eurjchem-2675	80	3	electronic	electronic	ADJ
eurjchem-2675	80	4	band	band	NOUN
eurjchem-2675	80	5	structure	structure	NOUN
eurjchem-2675	80	6	significant	significant	ADJ
eurjchem-2675	80	7	for	for	ADP
eurjchem-2675	80	8	assessing	assess	VERB
eurjchem-2675	80	9	electrical	electrical	ADJ
eurjchem-2675	80	10	characteristics	characteristic	NOUN
eurjchem-2675	80	11	,	,	PUNCT
eurjchem-2675	80	12	the	the	DET
eurjchem-2675	80	13	layout	layout	NOUN
eurjchem-2675	80	14	of	of	ADP
eurjchem-2675	80	15	bands	band	NOUN
eurjchem-2675	80	16	reveals	reveal	VERB
eurjchem-2675	80	17	significant	significant	ADJ
eurjchem-2675	80	18	details	detail	NOUN
eurjchem-2675	80	19	on	on	ADP
eurjchem-2675	80	20	the	the	DET
eurjchem-2675	80	21	energetic	energetic	ADJ
eurjchem-2675	80	22	concentrations	concentration	NOUN
eurjchem-2675	80	23	and	and	CCONJ
eurjchem-2675	80	24	band	band	NOUN
eurjchem-2675	80	25	widths	width	NOUN
eurjchem-2675	80	26	of	of	ADP
eurjchem-2675	80	27	an	an	DET
eurjchem-2675	80	28	object	object	NOUN
eurjchem-2675	80	29	.	.	PUNCT
eurjchem-2675	81	1	band	band	NOUN
eurjchem-2675	81	2	structures	structure	NOUN
eurjchem-2675	81	3	of	of	ADP
eurjchem-2675	81	4	cubic	cubic	ADJ
eurjchem-2675	81	5	behfo3	behfo3	NOUN
eurjchem-2675	82	1	at	at	ADP
eurjchem-2675	82	2	various	various	ADJ
eurjchem-2675	82	3	high	high	ADJ
eurjchem-2675	82	4	-	-	PUNCT
eurjchem-2675	82	5	symmetry	symmetry	NOUN
eurjchem-2675	82	6	points	point	NOUN
eurjchem-2675	82	7	within	within	ADP
eurjchem-2675	82	8	the	the	DET
eurjchem-2675	82	9	brillouin	brillouin	NOUN
eurjchem-2675	82	10	zone	zone	NOUN
eurjchem-2675	82	11	,	,	PUNCT
eurjchem-2675	82	12	particularly	particularly	ADV
eurjchem-2675	82	13	at	at	ADP
eurjchem-2675	82	14	the	the	DET
eurjchem-2675	82	15	(	(	PUNCT
eurjchem-2675	82	16	g	g	NOUN
eurjchem-2675	82	17	-	-	PUNCT
eurjchem-2675	82	18	r	r	NOUN
eurjchem-2675	82	19	-	-	PUNCT
eurjchem-2675	82	20	m	m	NOUN
eurjchem-2675	82	21	-	-	PUNCT
eurjchem-2675	82	22	g	g	NOUN
eurjchem-2675	82	23	-	-	PUNCT
eurjchem-2675	82	24	r	r	NOUN
eurjchem-2675	82	25	)	)	PUNCT
eurjchem-2675	82	26	spot	spot	NOUN
eurjchem-2675	82	27	.	.	PUNCT
eurjchem-2675	83	1	computing	computing	NOUN
eurjchem-2675	83	2	methods	method	NOUN
eurjchem-2675	83	3	such	such	ADJ
eurjchem-2675	83	4	as	as	ADP
eurjchem-2675	83	5	pbe	pbe	PROPN
eurjchem-2675	83	6	,	,	PUNCT
eurjchem-2675	83	7	rpbe	rpbe	PROPN
eurjchem-2675	83	8	,	,	PUNCT
eurjchem-2675	83	9	pbesol	pbesol	ADJ
eurjchem-2675	83	10	,	,	PUNCT
eurjchem-2675	83	11	lda	lda	PROPN
eurjchem-2675	83	12	are	be	AUX
eurjchem-2675	83	13	presented	present	VERB
eurjchem-2675	83	14	in	in	ADP
eurjchem-2675	83	15	figure	figure	NOUN
eurjchem-2675	83	16	2	2	NUM
eurjchem-2675	83	17	,	,	PUNCT
eurjchem-2675	83	18	b3lyp	b3lyp	NUM
eurjchem-2675	83	19	(	(	PUNCT
eurjchem-2675	83	20	figure	figure	NOUN
eurjchem-2675	83	21	s1	s1	NOUN
eurjchem-2675	83	22	,	,	PUNCT
eurjchem-2675	83	23	esi	esi	NOUN
eurjchem-2675	83	24	)	)	PUNCT
eurjchem-2675	83	25	and	and	CCONJ
eurjchem-2675	83	26	hse06	hse06	PROPN
eurjchem-2675	83	27	(	(	PUNCT
eurjchem-2675	83	28	figure	figure	NOUN
eurjchem-2675	83	29	s2	s2	PROPN
eurjchem-2675	83	30	,	,	PUNCT
eurjchem-2675	83	31	esi	esi	NOUN
eurjchem-2675	83	32	)	)	PUNCT
eurjchem-2675	83	33	were	be	AUX
eurjchem-2675	83	34	used	use	VERB
eurjchem-2675	83	35	to	to	PART
eurjchem-2675	83	36	determine	determine	VERB
eurjchem-2675	83	37	the	the	DET
eurjchem-2675	83	38	minuscule	minuscule	ADJ
eurjchem-2675	83	39	band	band	NOUN
eurjchem-2675	83	40	gap	gap	NOUN
eurjchem-2675	83	41	widths	width	NOUN
eurjchem-2675	83	42	that	that	PRON
eurjchem-2675	83	43	characterize	characterize	VERB
eurjchem-2675	83	44	the	the	DET
eurjchem-2675	83	45	spectrum	spectrum	NOUN
eurjchem-2675	83	46	of	of	ADP
eurjchem-2675	83	47	behfo3	behfo3	NOUN
eurjchem-2675	83	48	,	,	PUNCT
eurjchem-2675	83	49	indicating	indicate	VERB
eurjchem-2675	83	50	that	that	SCONJ
eurjchem-2675	83	51	it	it	PRON
eurjchem-2675	83	52	behaves	behave	VERB
eurjchem-2675	83	53	like	like	ADP
eurjchem-2675	83	54	a	a	DET
eurjchem-2675	83	55	semiconductor	semiconductor	NOUN
eurjchem-2675	83	56	.	.	PUNCT
eurjchem-2675	84	1	the	the	DET
eurjchem-2675	84	2	difference	difference	NOUN
eurjchem-2675	84	3	between	between	ADP
eurjchem-2675	84	4	a	a	DET
eurjchem-2675	84	5	direct	direct	ADJ
eurjchem-2675	84	6	and	and	CCONJ
eurjchem-2675	84	7	indirect	indirect	ADJ
eurjchem-2675	84	8	band	band	NOUN
eurjchem-2675	84	9	gap	gap	NOUN
eurjchem-2675	84	10	is	be	AUX
eurjchem-2675	84	11	the	the	DET
eurjchem-2675	84	12	degree	degree	NOUN
eurjchem-2675	84	13	to	to	PART
eurjchem-2675	84	14	which	which	PRON
eurjchem-2675	84	15	the	the	DET
eurjchem-2675	84	16	energies	energy	NOUN
eurjchem-2675	84	17	of	of	ADP
eurjchem-2675	84	18	the	the	DET
eurjchem-2675	84	19	conduction	conduction	NOUN
eurjchem-2675	84	20	and	and	CCONJ
eurjchem-2675	84	21	valence	valence	NOUN
eurjchem-2675	84	22	bands	band	NOUN
eurjchem-2675	84	23	coincide	coincide	VERB
eurjchem-2675	84	24	at	at	ADP
eurjchem-2675	84	25	the	the	DET
eurjchem-2675	84	26	identical	identical	ADJ
eurjchem-2675	84	27	k	k	NOUN
eurjchem-2675	84	28	-	-	NOUN
eurjchem-2675	84	29	point	point	NOUN
eurjchem-2675	84	30	[	[	X
eurjchem-2675	84	31	27	27	NUM
eurjchem-2675	84	32	-	-	SYM
eurjchem-2675	84	33	29	29	NUM
eurjchem-2675	84	34	]	]	PUNCT
eurjchem-2675	84	35	.	.	PUNCT
eurjchem-2675	85	1	the	the	DET
eurjchem-2675	85	2	findings	finding	NOUN
eurjchem-2675	85	3	of	of	ADP
eurjchem-2675	85	4	our	our	PRON
eurjchem-2675	85	5	computational	computational	ADJ
eurjchem-2675	85	6	analysis	analysis	NOUN
eurjchem-2675	85	7	demonstrate	demonstrate	VERB
eurjchem-2675	85	8	that	that	SCONJ
eurjchem-2675	85	9	behfo3	behfo3	NOUN
eurjchem-2675	85	10	has	have	VERB
eurjchem-2675	85	11	an	an	DET
eurjchem-2675	85	12	indirect	indirect	ADJ
eurjchem-2675	85	13	band	band	NOUN
eurjchem-2675	85	14	gap	gap	NOUN
eurjchem-2675	85	15	,	,	PUNCT
eurjchem-2675	85	16	as	as	SCONJ
eurjchem-2675	85	17	illustrated	illustrate	VERB
eurjchem-2675	85	18	in	in	ADP
eurjchem-2675	85	19	table	table	NOUN
eurjchem-2675	85	20	2	2	NUM
eurjchem-2675	85	21	.	.	PUNCT
eurjchem-2675	86	1	the	the	DET
eurjchem-2675	86	2	valence	valence	NOUN
eurjchem-2675	86	3	band	band	NOUN
eurjchem-2675	86	4	will	will	AUX
eurjchem-2675	86	5	display	display	VERB
eurjchem-2675	86	6	a	a	DET
eurjchem-2675	86	7	significant	significant	ADJ
eurjchem-2675	86	8	number	number	NOUN
eurjchem-2675	86	9	of	of	ADP
eurjchem-2675	86	10	occupied	occupy	VERB
eurjchem-2675	86	11	electronic	electronic	ADJ
eurjchem-2675	86	12	states	state	NOUN
eurjchem-2675	86	13	,	,	PUNCT
eurjchem-2675	86	14	while	while	SCONJ
eurjchem-2675	86	15	the	the	DET
eurjchem-2675	86	16	conduction	conduction	NOUN
eurjchem-2675	86	17	band	band	NOUN
eurjchem-2675	86	18	will	will	AUX
eurjchem-2675	86	19	show	show	VERB
eurjchem-2675	86	20	a	a	DET
eurjchem-2675	86	21	lower	low	ADJ
eurjchem-2675	86	22	number	number	NOUN
eurjchem-2675	86	23	of	of	ADP
eurjchem-2675	86	24	accessible	accessible	ADJ
eurjchem-2675	86	25	unoccupied	unoccupied	ADJ
eurjchem-2675	86	26	states	state	NOUN
eurjchem-2675	86	27	in	in	ADP
eurjchem-2675	86	28	the	the	DET
eurjchem-2675	86	29	density	density	NOUN
eurjchem-2675	86	30	of	of	ADP
eurjchem-2675	86	31	states	state	NOUN
eurjchem-2675	86	32	[	[	X
eurjchem-2675	86	33	30	30	NUM
eurjchem-2675	86	34	]	]	PUNCT
eurjchem-2675	86	35	.	.	PUNCT
eurjchem-2675	87	1	the	the	DET
eurjchem-2675	87	2	plot	plot	NOUN
eurjchem-2675	87	3	of	of	ADP
eurjchem-2675	87	4	electronic	electronic	ADJ
eurjchem-2675	87	5	states	state	NOUN
eurjchem-2675	87	6	for	for	ADP
eurjchem-2675	87	7	a	a	DET
eurjchem-2675	87	8	metal	metal	NOUN
eurjchem-2675	87	9	will	will	AUX
eurjchem-2675	87	10	exhibit	exhibit	VERB
eurjchem-2675	87	11	a	a	DET
eurjchem-2675	87	12	uniform	uniform	ADJ
eurjchem-2675	87	13	distribution	distribution	NOUN
eurjchem-2675	87	14	across	across	ADP
eurjchem-2675	87	15	a	a	DET
eurjchem-2675	87	16	broad	broad	ADJ
eurjchem-2675	87	17	spectrum	spectrum	NOUN
eurjchem-2675	87	18	of	of	ADP
eurjchem-2675	87	19	energies	energy	NOUN
eurjchem-2675	87	20	.	.	PUNCT
eurjchem-2675	88	1	from	from	ADP
eurjchem-2675	88	2	figure	figure	NOUN
eurjchem-2675	88	3	3	3	NUM
eurjchem-2675	88	4	,	,	PUNCT
eurjchem-2675	88	5	and	and	CCONJ
eurjchem-2675	88	6	(	(	PUNCT
eurjchem-2675	88	7	figure	figure	NOUN
eurjchem-2675	88	8	s3	s3	PROPN
eurjchem-2675	88	9	,	,	PUNCT
eurjchem-2675	88	10	esi	esi	PROPN
eurjchem-2675	88	11	)	)	PUNCT
eurjchem-2675	88	12	it	it	PRON
eurjchem-2675	88	13	has	have	AUX
eurjchem-2675	88	14	seen	see	VERB
eurjchem-2675	88	15	that	that	SCONJ
eurjchem-2675	88	16	,	,	PUNCT
eurjchem-2675	88	17	valence	valence	NOUN
eurjchem-2675	88	18	and	and	CCONJ
eurjchem-2675	88	19	conduction	conduction	NOUN
eurjchem-2675	88	20	band	band	NOUN
eurjchem-2675	88	21	level	level	NOUN
eurjchem-2675	88	22	the	the	DET
eurjchem-2675	88	23	highest	high	ADJ
eurjchem-2675	88	24	dos	do	NOUN
eurjchem-2675	88	25	peak	peak	NOUN
eurjchem-2675	88	26	level	level	NOUN
eurjchem-2675	88	27	reached	reach	VERB
eurjchem-2675	88	28	near	near	ADP
eurjchem-2675	88	29	about	about	ADV
eurjchem-2675	88	30	4.00	4.00	NUM
eurjchem-2675	88	31	and	and	CCONJ
eurjchem-2675	88	32	3.8	3.8	NUM
eurjchem-2675	88	33	electrons	electron	NOUN
eurjchem-2675	88	34	/	/	SYM
eurjchem-2675	88	35	ev	ev	NOUN
eurjchem-2675	88	36	.	.	PROPN
eurjchem-2675	89	1	on	on	ADP
eurjchem-2675	89	2	the	the	DET
eurjchem-2675	89	3	other	other	ADJ
eurjchem-2675	89	4	hand	hand	NOUN
eurjchem-2675	89	5	,	,	PUNCT
eurjchem-2675	89	6	in	in	ADP
eurjchem-2675	89	7	figure	figure	NOUN
eurjchem-2675	89	8	4	4	NUM
eurjchem-2675	89	9	and	and	CCONJ
eurjchem-2675	89	10	(	(	PUNCT
eurjchem-2675	89	11	figure	figure	NOUN
eurjchem-2675	89	12	s4	s4	PROPN
eurjchem-2675	89	13	,	,	PUNCT
eurjchem-2675	89	14	esi	esi	PROPN
eurjchem-2675	89	15	)	)	PUNCT
eurjchem-2675	89	16	for	for	ADP
eurjchem-2675	89	17	pdos	pdo	NOUN
eurjchem-2675	89	18	,	,	PUNCT
eurjchem-2675	89	19	valence	valence	NOUN
eurjchem-2675	89	20	band	band	NOUN
eurjchem-2675	89	21	of	of	ADP
eurjchem-2675	89	22	be	be	AUX
eurjchem-2675	89	23	and	and	CCONJ
eurjchem-2675	89	24	hf	hf	ADP
eurjchem-2675	89	25	atom	atom	NOUN
eurjchem-2675	89	26	partially	partially	ADV
eurjchem-2675	89	27	dominated	dominate	VERB
eurjchem-2675	89	28	by	by	ADP
eurjchem-2675	89	29	2s²	2s²	NUM
eurjchem-2675	89	30	,	,	PUNCT
eurjchem-2675	89	31	5p²	5p²	NUM
eurjchem-2675	89	32	and	and	CCONJ
eurjchem-2675	89	33	5d²	5d²	NUM
eurjchem-2675	89	34	orbital	orbital	ADJ
eurjchem-2675	89	35	,	,	PUNCT
eurjchem-2675	89	36	respectively	respectively	ADV
eurjchem-2675	89	37	,	,	PUNCT
eurjchem-2675	89	38	while	while	SCONJ
eurjchem-2675	89	39	conduction	conduction	NOUN
eurjchem-2675	89	40	band	band	NOUN
eurjchem-2675	89	41	,	,	PUNCT
eurjchem-2675	89	42	the	the	DET
eurjchem-2675	89	43	2s2	2s2	NUM
eurjchem-2675	89	44	orbital	orbital	NOUN
eurjchem-2675	89	45	of	of	ADP
eurjchem-2675	89	46	the	the	DET
eurjchem-2675	89	47	be	be	AUX
eurjchem-2675	89	48	atom	atom	NOUN
eurjchem-2675	89	49	,	,	PUNCT
eurjchem-2675	89	50	along	along	ADP
eurjchem-2675	89	51	with	with	ADP
eurjchem-2675	89	52	the	the	DET
eurjchem-2675	89	53	5p2	5p2	NUM
eurjchem-2675	89	54	and	and	CCONJ
eurjchem-2675	89	55	5d2	5d2	NUM
eurjchem-2675	89	56	orbitals	orbital	NOUN
eurjchem-2675	89	57	of	of	ADP
eurjchem-2675	89	58	the	the	DET
eurjchem-2675	89	59	hf	hf	PROPN
eurjchem-2675	89	60	atom	atom	NOUN
eurjchem-2675	89	61	,	,	PUNCT
eurjchem-2675	89	62	and	and	CCONJ
eurjchem-2675	89	63	the	the	DET
eurjchem-2675	89	64	2p2	2p2	NUM
eurjchem-2675	89	65	orbital	orbital	NOUN
eurjchem-2675	89	66	of	of	ADP
eurjchem-2675	89	67	the	the	DET
eurjchem-2675	89	68	o	o	PROPN
eurjchem-2675	89	69	atom	atom	NOUN
eurjchem-2675	89	70	,	,	PUNCT
eurjchem-2675	89	71	exhibit	exhibit	VERB
eurjchem-2675	89	72	the	the	DET
eurjchem-2675	89	73	most	most	ADJ
eurjchem-2675	89	74	al	al	PROPN
eurjchem-2675	89	75	masud	masud	PROPN
eurjchem-2675	89	76	et	et	PROPN
eurjchem-2675	89	77	al	al	PROPN
eurjchem-2675	89	78	.	.	PUNCT
eurjchem-2675	89	79	/	/	SYM
eurjchem-2675	89	80	european	european	PROPN
eurjchem-2675	89	81	journal	journal	PROPN
eurjchem-2675	89	82	of	of	ADP
eurjchem-2675	89	83	chemistry	chemistry	NOUN
eurjchem-2675	89	84	16	16	NUM
eurjchem-2675	89	85	(	(	PUNCT
eurjchem-2675	89	86	3	3	NUM
eurjchem-2675	89	87	)	)	PUNCT
eurjchem-2675	89	88	(	(	PUNCT
eurjchem-2675	89	89	2025	2025	NUM
eurjchem-2675	89	90	)	)	PUNCT
eurjchem-2675	89	91	292	292	NUM
eurjchem-2675	89	92	-	-	SYM
eurjchem-2675	89	93	301	301	NUM
eurjchem-2675	89	94	295	295	NUM
eurjchem-2675	89	95	2025	2025	NUM
eurjchem-2675	89	96	–	–	PUNCT
eurjchem-2675	89	97	european	european	ADJ
eurjchem-2675	89	98	journal	journal	NOUN
eurjchem-2675	89	99	of	of	ADP
eurjchem-2675	89	100	chemistry	chemistry	NOUN
eurjchem-2675	89	101	–	–	PUNCT
eurjchem-2675	89	102	cc	cc	NOUN
eurjchem-2675	89	103	by	by	ADP
eurjchem-2675	89	104	nc	nc	PROPN
eurjchem-2675	89	105	–	–	PUNCT
eurjchem-2675	89	106	doi	doi	NOUN
eurjchem-2675	89	107	:	:	PUNCT
eurjchem-2675	89	108	10.5155	10.5155	NUM
eurjchem-2675	89	109	/	/	SYM
eurjchem-2675	89	110	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	89	111	-	-	SYM
eurjchem-2675	89	112	301.2675	301.2675	NUM
eurjchem-2675	89	113	table	table	NOUN
eurjchem-2675	89	114	3	3	NUM
eurjchem-2675	89	115	.	.	PUNCT
eurjchem-2675	89	116	mulliken	mulliken	ADJ
eurjchem-2675	89	117	atomic	atomic	ADJ
eurjchem-2675	89	118	population	population	NOUN
eurjchem-2675	89	119	analysis	analysis	NOUN
eurjchem-2675	89	120	of	of	ADP
eurjchem-2675	89	121	behfo3	behfo3	NOUN
eurjchem-2675	89	122	perovskites	perovskite	NOUN
eurjchem-2675	89	123	.	.	PUNCT
eurjchem-2675	90	1	methods	method	NOUN
eurjchem-2675	90	2	mulliken	mulliken	PROPN
eurjchem-2675	90	3	hirshfeld	hirshfeld	PROPN
eurjchem-2675	90	4	element	element	NOUN
eurjchem-2675	90	5	charge	charge	NOUN
eurjchem-2675	90	6	bonds	bond	NOUN
eurjchem-2675	90	7	populations	population	NOUN
eurjchem-2675	90	8	bond	bond	NOUN
eurjchem-2675	90	9	length	length	NOUN
eurjchem-2675	90	10	(	(	PUNCT
eurjchem-2675	90	11	a	a	DET
eurjchem-2675	90	12	)	)	PUNCT
eurjchem-2675	90	13	charge	charge	NOUN
eurjchem-2675	90	14	pbe	pbe	NOUN
eurjchem-2675	90	15	be	be	AUX
eurjchem-2675	90	16	hf	hf	ADP
eurjchem-2675	90	17	o	o	PROPN
eurjchem-2675	90	18	0.37	0.37	NUM
eurjchem-2675	90	19	be	be	NOUN
eurjchem-2675	90	20	o	o	NOUN
eurjchem-2675	90	21	0.75	0.75	NUM
eurjchem-2675	90	22	1.67320	1.67320	NUM
eurjchem-2675	90	23	0.07	0.07	NUM
eurjchem-2675	90	24	1.92	1.92	NUM
eurjchem-2675	90	25	hf	hf	NOUN
eurjchem-2675	90	26	o	o	NOUN
eurjchem-2675	90	27	0.60	0.60	NUM
eurjchem-2675	90	28	2.36626	2.36626	NUM
eurjchem-2675	90	29	0.68	0.68	NUM
eurjchem-2675	90	30	-0.76	-0.76	NUM
eurjchem-2675	90	31	o	o	NOUN
eurjchem-2675	90	32	o	o	NOUN
eurjchem-2675	90	33	-0.46	-0.46	NUM
eurjchem-2675	90	34	2.36626	2.36626	NUM
eurjchem-2675	90	35	-0.25	-0.25	NUM
eurjchem-2675	90	36	be	be	AUX
eurjchem-2675	90	37	hf	hf	NOUN
eurjchem-2675	90	38	-0.84	-0.84	NUM
eurjchem-2675	90	39	2.89807	2.89807	NUM
eurjchem-2675	90	40	rpbe	rpbe	NOUN
eurjchem-2675	90	41	be	be	AUX
eurjchem-2675	90	42	hf	hf	ADJ
eurjchem-2675	90	43	o	o	NOUN
eurjchem-2675	90	44	0.38	0.38	NUM
eurjchem-2675	90	45	be	be	AUX
eurjchem-2675	90	46	–	–	PUNCT
eurjchem-2675	90	47	o	o	NOUN
eurjchem-2675	90	48	0.74	0.74	NUM
eurjchem-2675	90	49	1.67835	1.67835	NUM
eurjchem-2675	90	50	0.07	0.07	NUM
eurjchem-2675	90	51	-0.77	-0.77	NUM
eurjchem-2675	90	52	hf	hf	ADP
eurjchem-2675	90	53	o	o	PROPN
eurjchem-2675	90	54	0.61	0.61	NUM
eurjchem-2675	90	55	2.37355	2.37355	NUM
eurjchem-2675	90	56	-0.25	-0.25	NUM
eurjchem-2675	90	57	1.91	1.91	NUM
eurjchem-2675	90	58	o	o	NOUN
eurjchem-2675	90	59	o	o	NOUN
eurjchem-2675	90	60	-0.46	-0.46	NUM
eurjchem-2675	91	1	2.37355	2.37355	NUM
eurjchem-2675	91	2	0.69	0.69	NUM
eurjchem-2675	91	3	be	be	AUX
eurjchem-2675	91	4	hf	hf	ADP
eurjchem-2675	91	5	-0.77	-0.77	NUM
eurjchem-2675	91	6	2.90699	2.90699	NUM
eurjchem-2675	91	7	pbe	pbe	PROPN
eurjchem-2675	91	8	sol	sol	NOUN
eurjchem-2675	91	9	be	be	AUX
eurjchem-2675	91	10	hf	hf	ADP
eurjchem-2675	91	11	o	o	PROPN
eurjchem-2675	91	12	0.32	0.32	NUM
eurjchem-2675	91	13	be	be	NOUN
eurjchem-2675	91	14	o	o	NOUN
eurjchem-2675	91	15	0.77	0.77	NUM
eurjchem-2675	91	16	1.66720	1.66720	NUM
eurjchem-2675	91	17	0.06	0.06	NUM
eurjchem-2675	91	18	1.90	1.90	NUM
eurjchem-2675	91	19	hf	hf	NOUN
eurjchem-2675	91	20	o	o	NOUN
eurjchem-2675	91	21	0.60	0.60	NUM
eurjchem-2675	91	22	2.35777	2.35777	NUM
eurjchem-2675	91	23	0.65	0.65	NUM
eurjchem-2675	91	24	-0.74	-0.74	NUM
eurjchem-2675	91	25	o	o	NOUN
eurjchem-2675	91	26	o	o	NOUN
eurjchem-2675	91	27	-0.48	-0.48	NOUN
eurjchem-2675	91	28	2.35777	2.35777	NUM
eurjchem-2675	91	29	-0.24	-0.24	NOUN
eurjchem-2675	91	30	be	be	AUX
eurjchem-2675	91	31	hf	hf	ADP
eurjchem-2675	91	32	-0.93	-0.93	NUM
eurjchem-2675	91	33	2.88767	2.88767	NUM
eurjchem-2675	91	34	lda	lda	PROPN
eurjchem-2675	91	35	be	be	AUX
eurjchem-2675	91	36	hf	hf	PROPN
eurjchem-2675	91	37	o	o	PROPN
eurjchem-2675	91	38	0.30	0.30	NUM
eurjchem-2675	91	39	be	be	NOUN
eurjchem-2675	91	40	o	o	NOUN
eurjchem-2675	91	41	0.78	0.78	NUM
eurjchem-2675	91	42	1.65863	1.65863	NUM
eurjchem-2675	91	43	0.07	0.07	NUM
eurjchem-2675	91	44	1.99	1.99	NUM
eurjchem-2675	91	45	hf	hf	NOUN
eurjchem-2675	91	46	o	o	NOUN
eurjchem-2675	91	47	0.57	0.57	NUM
eurjchem-2675	91	48	2.34566	2.34566	NUM
eurjchem-2675	91	49	0.67	0.67	NUM
eurjchem-2675	91	50	-0.76	-0.76	NUM
eurjchem-2675	91	51	o	o	PROPN
eurjchem-2675	91	52	-	-	PROPN
eurjchem-2675	91	53	o	o	X
eurjchem-2675	91	54	-0.49	-0.49	ADP
eurjchem-2675	91	55	2.34566	2.34566	NUM
eurjchem-2675	91	56	-0.25	-0.25	NUM
eurjchem-2675	91	57	be	be	AUX
eurjchem-2675	91	58	hf	hf	ADP
eurjchem-2675	91	59	-1.03	-1.03	NUM
eurjchem-2675	91	60	2.87283	2.87283	NUM
eurjchem-2675	91	61	figure	figure	NOUN
eurjchem-2675	91	62	3	3	NUM
eurjchem-2675	91	63	.	.	PUNCT
eurjchem-2675	91	64	total	total	ADJ
eurjchem-2675	91	65	dos	do	NOUN
eurjchem-2675	91	66	and	and	CCONJ
eurjchem-2675	91	67	pdos	pdo	NOUN
eurjchem-2675	91	68	of	of	ADP
eurjchem-2675	91	69	behfo3	behfo3	NOUN
eurjchem-2675	91	70	using	use	VERB
eurjchem-2675	91	71	the	the	DET
eurjchem-2675	91	72	(	(	PUNCT
eurjchem-2675	91	73	a	a	NOUN
eurjchem-2675	91	74	)	)	PUNCT
eurjchem-2675	91	75	pbe	pbe	PROPN
eurjchem-2675	91	76	(	(	PUNCT
eurjchem-2675	91	77	b	b	NOUN
eurjchem-2675	91	78	)	)	PUNCT
eurjchem-2675	91	79	rpbe	rpbe	NOUN
eurjchem-2675	91	80	,	,	PUNCT
eurjchem-2675	91	81	(	(	PUNCT
eurjchem-2675	91	82	c	c	X
eurjchem-2675	91	83	)	)	PUNCT
eurjchem-2675	91	84	pbe	pbe	PROPN
eurjchem-2675	91	85	sol	sol	NOUN
eurjchem-2675	91	86	,	,	PUNCT
eurjchem-2675	91	87	and	and	CCONJ
eurjchem-2675	91	88	(	(	PUNCT
eurjchem-2675	91	89	d	d	X
eurjchem-2675	91	90	)	)	PUNCT
eurjchem-2675	91	91	lda	lda	PROPN
eurjchem-2675	91	92	techniques	technique	NOUN
eurjchem-2675	91	93	.	.	PUNCT
eurjchem-2675	92	1	significant	significant	ADJ
eurjchem-2675	92	2	contributions	contribution	NOUN
eurjchem-2675	92	3	.	.	PUNCT
eurjchem-2675	93	1	lastly	lastly	ADV
eurjchem-2675	93	2	,	,	PUNCT
eurjchem-2675	93	3	about	about	ADV
eurjchem-2675	93	4	3.8	3.8	NUM
eurjchem-2675	93	5	electrons	electron	NOUN
eurjchem-2675	93	6	/	/	SYM
eurjchem-2675	93	7	ev	ev	X
eurjchem-2675	93	8	are	be	AUX
eurjchem-2675	93	9	significantly	significantly	ADV
eurjchem-2675	93	10	contributed	contribute	VERB
eurjchem-2675	93	11	by	by	ADP
eurjchem-2675	93	12	the	the	DET
eurjchem-2675	93	13	p	p	PROPN
eurjchem-2675	93	14	orbital	orbital	NOUN
eurjchem-2675	93	15	in	in	ADP
eurjchem-2675	93	16	the	the	DET
eurjchem-2675	93	17	valence	valence	NOUN
eurjchem-2675	93	18	band	band	NOUN
eurjchem-2675	93	19	.	.	PUNCT
eurjchem-2675	94	1	with	with	ADP
eurjchem-2675	94	2	almost	almost	ADV
eurjchem-2675	94	3	four	four	NUM
eurjchem-2675	94	4	electrons	electron	NOUN
eurjchem-2675	94	5	/	/	SYM
eurjchem-2675	94	6	ev	ev	ADP
eurjchem-2675	94	7	,	,	PUNCT
eurjchem-2675	94	8	the	the	DET
eurjchem-2675	94	9	d	d	PROPN
eurjchem-2675	94	10	orbital	orbital	NOUN
eurjchem-2675	94	11	makes	make	VERB
eurjchem-2675	94	12	a	a	DET
eurjchem-2675	94	13	substantial	substantial	ADJ
eurjchem-2675	94	14	contribution	contribution	NOUN
eurjchem-2675	94	15	to	to	ADP
eurjchem-2675	94	16	the	the	DET
eurjchem-2675	94	17	conduction	conduction	NOUN
eurjchem-2675	94	18	spectrum	spectrum	NOUN
eurjchem-2675	94	19	[	[	X
eurjchem-2675	94	20	31	31	NUM
eurjchem-2675	94	21	]	]	PUNCT
eurjchem-2675	94	22	.	.	PUNCT
eurjchem-2675	95	1	a	a	DET
eurjchem-2675	95	2	study	study	NOUN
eurjchem-2675	95	3	of	of	ADP
eurjchem-2675	95	4	the	the	DET
eurjchem-2675	95	5	mulliken	mulliken	PROPN
eurjchem-2675	95	6	atomic	atomic	ADJ
eurjchem-2675	95	7	population	population	NOUN
eurjchem-2675	95	8	is	be	AUX
eurjchem-2675	95	9	also	also	ADV
eurjchem-2675	95	10	included	include	VERB
eurjchem-2675	95	11	to	to	PART
eurjchem-2675	95	12	supplement	supplement	VERB
eurjchem-2675	95	13	the	the	DET
eurjchem-2675	95	14	investigation	investigation	NOUN
eurjchem-2675	95	15	of	of	ADP
eurjchem-2675	95	16	the	the	DET
eurjchem-2675	95	17	bridging	bridging	NOUN
eurjchem-2675	95	18	features	feature	NOUN
eurjchem-2675	95	19	of	of	ADP
eurjchem-2675	95	20	the	the	DET
eurjchem-2675	95	21	behfo3	behfo3	NOUN
eurjchem-2675	95	22	crystal	crystal	PROPN
eurjchem-2675	95	23	.	.	PUNCT
eurjchem-2675	96	1	the	the	DET
eurjchem-2675	96	2	veracity	veracity	NOUN
eurjchem-2675	96	3	of	of	ADP
eurjchem-2675	96	4	our	our	PRON
eurjchem-2675	96	5	knowledge	knowledge	NOUN
eurjchem-2675	96	6	of	of	ADP
eurjchem-2675	96	7	charge	charge	NOUN
eurjchem-2675	96	8	transporters	transporter	NOUN
eurjchem-2675	96	9	and	and	CCONJ
eurjchem-2675	96	10	the	the	DET
eurjchem-2675	96	11	interactions	interaction	NOUN
eurjchem-2675	96	12	between	between	ADP
eurjchem-2675	96	13	atoms	atom	NOUN
eurjchem-2675	96	14	in	in	ADP
eurjchem-2675	96	15	different	different	ADJ
eurjchem-2675	96	16	compounds	compound	NOUN
eurjchem-2675	96	17	is	be	AUX
eurjchem-2675	96	18	verified	verify	VERB
eurjchem-2675	96	19	by	by	ADP
eurjchem-2675	96	20	studies	study	NOUN
eurjchem-2675	96	21	[	[	X
eurjchem-2675	96	22	32	32	NUM
eurjchem-2675	96	23	]	]	PUNCT
eurjchem-2675	96	24	.	.	PUNCT
eurjchem-2675	97	1	the	the	DET
eurjchem-2675	97	2	atomic	atomic	ADJ
eurjchem-2675	97	3	charges	charge	NOUN
eurjchem-2675	97	4	of	of	ADP
eurjchem-2675	97	5	oxygen	oxygen	NOUN
eurjchem-2675	97	6	(	(	PUNCT
eurjchem-2675	97	7	o	o	NOUN
eurjchem-2675	97	8	)	)	PUNCT
eurjchem-2675	97	9	are	be	AUX
eurjchem-2675	97	10	negative	negative	ADJ
eurjchem-2675	97	11	,	,	PUNCT
eurjchem-2675	97	12	whereas	whereas	SCONJ
eurjchem-2675	97	13	those	those	PRON
eurjchem-2675	97	14	of	of	ADP
eurjchem-2675	97	15	beryllium	beryllium	NOUN
eurjchem-2675	97	16	(	(	PUNCT
eurjchem-2675	97	17	be	be	AUX
eurjchem-2675	97	18	)	)	PUNCT
eurjchem-2675	97	19	and	and	CCONJ
eurjchem-2675	97	20	hafnium	hafnium	NOUN
eurjchem-2675	97	21	(	(	PUNCT
eurjchem-2675	97	22	hf	hf	NOUN
eurjchem-2675	97	23	)	)	PUNCT
eurjchem-2675	97	24	are	be	AUX
eurjchem-2675	97	25	positive	positive	ADJ
eurjchem-2675	97	26	.	.	PUNCT
eurjchem-2675	98	1	table	table	NOUN
eurjchem-2675	98	2	3	3	NUM
eurjchem-2675	98	3	,	,	PUNCT
eurjchem-2675	98	4	details	detail	VERB
eurjchem-2675	98	5	the	the	DET
eurjchem-2675	98	6	attributes	attribute	NOUN
eurjchem-2675	98	7	of	of	ADP
eurjchem-2675	98	8	the	the	DET
eurjchem-2675	98	9	behfo3	behfo3	NOUN
eurjchem-2675	98	10	crystal	crystal	NOUN
eurjchem-2675	98	11	as	as	SCONJ
eurjchem-2675	98	12	evaluated	evaluate	VERB
eurjchem-2675	98	13	using	use	VERB
eurjchem-2675	98	14	the	the	DET
eurjchem-2675	98	15	pbe	pbe	PROPN
eurjchem-2675	98	16	,	,	PUNCT
eurjchem-2675	98	17	rpbe	rpbe	PROPN
eurjchem-2675	98	18	,	,	PUNCT
eurjchem-2675	98	19	pbesol	pbesol	ADJ
eurjchem-2675	98	20	,	,	PUNCT
eurjchem-2675	98	21	and	and	CCONJ
eurjchem-2675	98	22	lda	lda	PROPN
eurjchem-2675	98	23	techniques	technique	NOUN
eurjchem-2675	98	24	.	.	PUNCT
eurjchem-2675	99	1	additionally	additionally	ADV
eurjchem-2675	99	2	,	,	PUNCT
eurjchem-2675	99	3	the	the	DET
eurjchem-2675	99	4	oxygen	oxygen	NOUN
eurjchem-2675	99	5	atom	atom	NOUN
eurjchem-2675	99	6	received	receive	VERB
eurjchem-2675	99	7	a	a	DET
eurjchem-2675	99	8	charge	charge	NOUN
eurjchem-2675	99	9	from	from	ADP
eurjchem-2675	99	10	the	the	DET
eurjchem-2675	99	11	beryllium	beryllium	NOUN
eurjchem-2675	99	12	and	and	CCONJ
eurjchem-2675	99	13	hafnium	hafnium	NOUN
eurjchem-2675	99	14	atoms	atom	NOUN
eurjchem-2675	99	15	,	,	PUNCT
eurjchem-2675	99	16	resulting	result	VERB
eurjchem-2675	99	17	in	in	ADP
eurjchem-2675	99	18	an	an	DET
eurjchem-2675	99	19	electric	electric	ADJ
eurjchem-2675	99	20	charge	charge	NOUN
eurjchem-2675	99	21	swap	swap	NOUN
eurjchem-2675	99	22	.	.	PUNCT
eurjchem-2675	100	1	3.3	3.3	NUM
eurjchem-2675	100	2	.	.	PUNCT
eurjchem-2675	101	1	mechanical	mechanical	ADJ
eurjchem-2675	101	2	properties	property	NOUN
eurjchem-2675	101	3	the	the	DET
eurjchem-2675	101	4	elastic	elastic	ADJ
eurjchem-2675	101	5	constant	constant	ADJ
eurjchem-2675	101	6	quantifies	quantifie	NOUN
eurjchem-2675	101	7	a	a	DET
eurjchem-2675	101	8	material	material	NOUN
eurjchem-2675	101	9	's	's	PART
eurjchem-2675	101	10	susceptibility	susceptibility	NOUN
eurjchem-2675	101	11	to	to	ADP
eurjchem-2675	101	12	deformation	deformation	NOUN
eurjchem-2675	101	13	,	,	PUNCT
eurjchem-2675	101	14	indicating	indicate	VERB
eurjchem-2675	101	15	its	its	PRON
eurjchem-2675	101	16	reaction	reaction	NOUN
eurjchem-2675	101	17	to	to	ADP
eurjchem-2675	101	18	tension	tension	NOUN
eurjchem-2675	101	19	,	,	PUNCT
eurjchem-2675	101	20	compression	compression	NOUN
eurjchem-2675	101	21	,	,	PUNCT
eurjchem-2675	101	22	and	and	CCONJ
eurjchem-2675	101	23	distortion	distortion	NOUN
eurjchem-2675	101	24	.	.	PUNCT
eurjchem-2675	102	1	elastic	elastic	ADJ
eurjchem-2675	102	2	constants	constant	NOUN
eurjchem-2675	102	3	were	be	AUX
eurjchem-2675	102	4	calculated	calculate	VERB
eurjchem-2675	102	5	utilizing	utilize	VERB
eurjchem-2675	102	6	hooke	hooke	NOUN
eurjchem-2675	102	7	's	's	PART
eurjchem-2675	102	8	law	law	NOUN
eurjchem-2675	102	9	and	and	CCONJ
eurjchem-2675	102	10	stress	stress	NOUN
eurjchem-2675	102	11	-	-	PUNCT
eurjchem-2675	102	12	strain	strain	NOUN
eurjchem-2675	102	13	data	datum	NOUN
eurjchem-2675	102	14	.	.	PUNCT
eurjchem-2675	103	1	for	for	ADP
eurjchem-2675	103	2	cubic	cubic	ADJ
eurjchem-2675	103	3	crystals	crystal	NOUN
eurjchem-2675	103	4	,	,	PUNCT
eurjchem-2675	103	5	mechanical	mechanical	ADJ
eurjchem-2675	103	6	stability	stability	NOUN
eurjchem-2675	103	7	requires	require	VERB
eurjchem-2675	103	8	adherence	adherence	NOUN
eurjchem-2675	103	9	to	to	ADP
eurjchem-2675	103	10	the	the	DET
eurjchem-2675	103	11	born	bear	VERB
eurjchem-2675	103	12	stability	stability	NOUN
eurjchem-2675	103	13	criteria	criterion	NOUN
eurjchem-2675	103	14	[	[	X
eurjchem-2675	103	15	33	33	NUM
eurjchem-2675	103	16	]	]	X
eurjchem-2675	103	17	:	:	PUNCT
eurjchem-2675	103	18	𝐶𝐶11	𝐶𝐶11	PROPN
eurjchem-2675	103	19	>	>	X
eurjchem-2675	103	20	0	0	NUM
eurjchem-2675	103	21	,	,	PUNCT
eurjchem-2675	103	22	𝐶𝐶44	𝐶𝐶44	PROPN
eurjchem-2675	103	23	>	>	X
eurjchem-2675	103	24	0	0	PROPN
eurjchem-2675	103	25	,	,	PUNCT
eurjchem-2675	103	26	𝐶𝐶11−𝐶𝐶	𝐶𝐶11−𝐶𝐶	PROPN
eurjchem-2675	103	27	12	12	NUM
eurjchem-2675	103	28	>	>	SYM
eurjchem-2675	103	29	0	0	NUM
eurjchem-2675	103	30	,	,	PUNCT
eurjchem-2675	103	31	and	and	CCONJ
eurjchem-2675	103	32	𝐶𝐶11	𝐶𝐶11	PROPN
eurjchem-2675	103	33	+	+	PROPN
eurjchem-2675	103	34	2𝐶𝐶12	2𝐶𝐶12	NUM
eurjchem-2675	103	35	>	>	SYM
eurjchem-2675	103	36	0	0	X
eurjchem-2675	103	37	.	.	PUNCT
eurjchem-2675	103	38	table	table	NOUN
eurjchem-2675	103	39	5	5	NUM
eurjchem-2675	103	40	,	,	PUNCT
eurjchem-2675	103	41	presents	present	VERB
eurjchem-2675	103	42	the	the	DET
eurjchem-2675	103	43	mechanical	mechanical	ADJ
eurjchem-2675	103	44	characteristics	characteristic	NOUN
eurjchem-2675	103	45	of	of	ADP
eurjchem-2675	103	46	behfo3	behfo3	NOUN
eurjchem-2675	103	47	as	as	SCONJ
eurjchem-2675	103	48	determined	determine	VERB
eurjchem-2675	103	49	by	by	ADP
eurjchem-2675	103	50	pbe	pbe	PROPN
eurjchem-2675	103	51	,	,	PUNCT
eurjchem-2675	103	52	rpbe	rpbe	ADJ
eurjchem-2675	103	53	,	,	PUNCT
eurjchem-2675	103	54	and	and	CCONJ
eurjchem-2675	103	55	pbesol	pbesol	ADJ
eurjchem-2675	103	56	,	,	PUNCT
eurjchem-2675	103	57	therefore	therefore	ADV
eurjchem-2675	103	58	affirming	affirm	VERB
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eurjchem-2675	103	61	under	under	ADP
eurjchem-2675	103	62	these	these	DET
eurjchem-2675	103	63	circumstances	circumstance	NOUN
eurjchem-2675	103	64	.	.	PUNCT
eurjchem-2675	104	1	mechanical	mechanical	ADJ
eurjchem-2675	104	2	parameters	parameter	NOUN
eurjchem-2675	104	3	such	such	ADJ
eurjchem-2675	104	4	as	as	ADP
eurjchem-2675	104	5	elastic	elastic	ADJ
eurjchem-2675	104	6	constants	constant	NOUN
eurjchem-2675	104	7	,	,	PUNCT
eurjchem-2675	104	8	bulk	bulk	ADJ
eurjchem-2675	104	9	modulus	modulus	NOUN
eurjchem-2675	104	10	,	,	PUNCT
eurjchem-2675	104	11	shear	shear	NOUN
eurjchem-2675	104	12	modulus	modulus	NOUN
eurjchem-2675	104	13	,	,	PUNCT
eurjchem-2675	104	14	young	young	ADJ
eurjchem-2675	104	15	’s	’s	PART
eurjchem-2675	104	16	modulus	modulus	NOUN
eurjchem-2675	104	17	,	,	PUNCT
eurjchem-2675	104	18	and	and	CCONJ
eurjchem-2675	104	19	poisson	poisson	PROPN
eurjchem-2675	104	20	’s	’s	PART
eurjchem-2675	104	21	ratio	ratio	NOUN
eurjchem-2675	104	22	characterize	characterize	VERB
eurjchem-2675	104	23	the	the	DET
eurjchem-2675	104	24	material	material	NOUN
eurjchem-2675	104	25	’s	’s	PART
eurjchem-2675	104	26	response	response	NOUN
eurjchem-2675	104	27	to	to	ADP
eurjchem-2675	104	28	applied	apply	VERB
eurjchem-2675	104	29	stress	stress	NOUN
eurjchem-2675	104	30	or	or	CCONJ
eurjchem-2675	104	31	strain	strain	NOUN
eurjchem-2675	104	32	.	.	PUNCT
eurjchem-2675	105	1	these	these	DET
eurjchem-2675	105	2	parameters	parameter	NOUN
eurjchem-2675	105	3	are	be	AUX
eurjchem-2675	105	4	intrinsically	intrinsically	ADV
eurjchem-2675	105	5	linked	link	VERB
eurjchem-2675	105	6	to	to	ADP
eurjchem-2675	105	7	the	the	DET
eurjchem-2675	105	8	nature	nature	NOUN
eurjchem-2675	105	9	of	of	ADP
eurjchem-2675	105	10	atomic	atomic	ADJ
eurjchem-2675	105	11	bonding	bonding	NOUN
eurjchem-2675	105	12	within	within	ADP
eurjchem-2675	105	13	the	the	DET
eurjchem-2675	105	14	material	material	NOUN
eurjchem-2675	105	15	.	.	PUNCT
eurjchem-2675	106	1	the	the	DET
eurjchem-2675	106	2	atoms	atom	NOUN
eurjchem-2675	106	3	in	in	ADP
eurjchem-2675	106	4	materials	material	NOUN
eurjchem-2675	106	5	with	with	ADP
eurjchem-2675	106	6	strong	strong	ADJ
eurjchem-2675	106	7	covalent	covalent	ADJ
eurjchem-2675	106	8	bonding	bonding	NOUN
eurjchem-2675	106	9	are	be	AUX
eurjchem-2675	106	10	so	so	ADV
eurjchem-2675	106	11	closely	closely	ADV
eurjchem-2675	106	12	linked	link	VERB
eurjchem-2675	106	13	that	that	SCONJ
eurjchem-2675	106	14	they	they	PRON
eurjchem-2675	106	15	resist	resist	VERB
eurjchem-2675	106	16	deformation	deformation	NOUN
eurjchem-2675	106	17	,	,	PUNCT
eurjchem-2675	106	18	making	make	VERB
eurjchem-2675	106	19	the	the	DET
eurjchem-2675	106	20	material	material	NOUN
eurjchem-2675	106	21	very	very	ADV
eurjchem-2675	106	22	stiff	stiff	ADJ
eurjchem-2675	106	23	and	and	CCONJ
eurjchem-2675	106	24	having	have	VERB
eurjchem-2675	106	25	a	a	DET
eurjchem-2675	106	26	large	large	ADJ
eurjchem-2675	106	27	elastic	elastic	ADJ
eurjchem-2675	106	28	modulus	modulus	NOUN
eurjchem-2675	106	29	.	.	PUNCT
eurjchem-2675	107	1	the	the	DET
eurjchem-2675	107	2	directed	direct	VERB
eurjchem-2675	107	3	structures	structure	NOUN
eurjchem-2675	107	4	of	of	ADP
eurjchem-2675	107	5	the	the	DET
eurjchem-2675	107	6	ionic	ionic	ADJ
eurjchem-2675	107	7	bonding	bonding	NOUN
eurjchem-2675	107	8	and	and	CCONJ
eurjchem-2675	107	9	electrostatic	electrostatic	ADJ
eurjchem-2675	107	10	interactions	interaction	NOUN
eurjchem-2675	107	11	cause	cause	VERB
eurjchem-2675	107	12	them	they	PRON
eurjchem-2675	107	13	to	to	PART
eurjchem-2675	107	14	be	be	AUX
eurjchem-2675	107	15	somewhat	somewhat	ADV
eurjchem-2675	107	16	stiff	stiff	ADJ
eurjchem-2675	107	17	,	,	PUNCT
eurjchem-2675	107	18	but	but	CCONJ
eurjchem-2675	107	19	they	they	PRON
eurjchem-2675	107	20	are	be	AUX
eurjchem-2675	107	21	frequently	frequently	ADV
eurjchem-2675	107	22	fragile	fragile	ADJ
eurjchem-2675	107	23	.	.	PUNCT
eurjchem-2675	108	1	because	because	SCONJ
eurjchem-2675	108	2	of	of	ADP
eurjchem-2675	108	3	the	the	DET
eurjchem-2675	108	4	delocalized	delocalize	VERB
eurjchem-2675	108	5	electron	electron	NOUN
eurjchem-2675	108	6	cloud	cloud	NOUN
eurjchem-2675	108	7	that	that	PRON
eurjchem-2675	108	8	allows	allow	VERB
eurjchem-2675	108	9	for	for	ADP
eurjchem-2675	108	10	atomic	atomic	ADJ
eurjchem-2675	108	11	mobility	mobility	NOUN
eurjchem-2675	108	12	,	,	PUNCT
eurjchem-2675	108	13	metallic	metallic	ADJ
eurjchem-2675	108	14	bonds	bond	NOUN
eurjchem-2675	108	15	are	be	AUX
eurjchem-2675	108	16	linked	link	VERB
eurjchem-2675	108	17	to	to	ADP
eurjchem-2675	108	18	excellent	excellent	ADJ
eurjchem-2675	108	19	ductility	ductility	NOUN
eurjchem-2675	108	20	and	and	CCONJ
eurjchem-2675	108	21	moderate	moderate	ADJ
eurjchem-2675	108	22	to	to	ADP
eurjchem-2675	108	23	high	high	ADJ
eurjchem-2675	108	24	elastic	elastic	ADJ
eurjchem-2675	108	25	moduli	modulus	NOUN
eurjchem-2675	108	26	.	.	PUNCT
eurjchem-2675	109	1	low	low	ADJ
eurjchem-2675	109	2	elastic	elastic	ADJ
eurjchem-2675	109	3	moduli	modulus	NOUN
eurjchem-2675	109	4	and	and	CCONJ
eurjchem-2675	109	5	greater	great	ADJ
eurjchem-2675	109	6	deformability	deformability	NOUN
eurjchem-2675	109	7	are	be	AUX
eurjchem-2675	109	8	characteristics	characteristic	NOUN
eurjchem-2675	109	9	of	of	ADP
eurjchem-2675	109	10	296	296	NUM
eurjchem-2675	109	11	al	al	PROPN
eurjchem-2675	109	12	masud	masud	PROPN
eurjchem-2675	109	13	et	et	PROPN
eurjchem-2675	109	14	al	al	PROPN
eurjchem-2675	109	15	.	.	PUNCT
eurjchem-2675	109	16	/	/	SYM
eurjchem-2675	109	17	european	european	PROPN
eurjchem-2675	109	18	journal	journal	PROPN
eurjchem-2675	109	19	of	of	ADP
eurjchem-2675	109	20	chemistry	chemistry	NOUN
eurjchem-2675	109	21	16	16	NUM
eurjchem-2675	109	22	(	(	PUNCT
eurjchem-2675	109	23	3	3	NUM
eurjchem-2675	109	24	)	)	PUNCT
eurjchem-2675	109	25	(	(	PUNCT
eurjchem-2675	109	26	2025	2025	NUM
eurjchem-2675	109	27	)	)	PUNCT
eurjchem-2675	109	28	292	292	NUM
eurjchem-2675	109	29	-	-	SYM
eurjchem-2675	109	30	301	301	NUM
eurjchem-2675	109	31	2025	2025	NUM
eurjchem-2675	109	32	–	–	PUNCT
eurjchem-2675	109	33	european	european	ADJ
eurjchem-2675	109	34	journal	journal	NOUN
eurjchem-2675	109	35	of	of	ADP
eurjchem-2675	109	36	chemistry	chemistry	NOUN
eurjchem-2675	109	37	–	–	PUNCT
eurjchem-2675	109	38	cc	cc	NOUN
eurjchem-2675	109	39	by	by	ADP
eurjchem-2675	109	40	nc	nc	PROPN
eurjchem-2675	109	41	–	–	PUNCT
eurjchem-2675	109	42	doi	doi	NOUN
eurjchem-2675	109	43	:	:	PUNCT
eurjchem-2675	109	44	10.5155	10.5155	NUM
eurjchem-2675	109	45	/	/	SYM
eurjchem-2675	109	46	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	109	47	-	-	SYM
eurjchem-2675	109	48	301.2675	301.2675	NUM
eurjchem-2675	109	49	table	table	NOUN
eurjchem-2675	109	50	4	4	NUM
eurjchem-2675	109	51	.	.	PUNCT
eurjchem-2675	109	52	comparison	comparison	NOUN
eurjchem-2675	109	53	with	with	ADP
eurjchem-2675	109	54	related	related	ADJ
eurjchem-2675	109	55	materials	material	NOUN
eurjchem-2675	109	56	predicted	predict	VERB
eurjchem-2675	109	57	by	by	ADP
eurjchem-2675	109	58	the	the	DET
eurjchem-2675	109	59	dft	dft	PROPN
eurjchem-2675	109	60	study	study	PROPN
eurjchem-2675	109	61	.	.	PUNCT
eurjchem-2675	110	1	compound	compound	PROPN
eurjchem-2675	110	2	cutt	cutt	PROPN
eurjchem-2675	110	3	off	off	ADP
eurjchem-2675	110	4	energy	energy	NOUN
eurjchem-2675	110	5	&	&	CCONJ
eurjchem-2675	110	6	k	k	PROPN
eurjchem-2675	110	7	-points	-points	PROPN
eurjchem-2675	110	8	crystal	crystal	NOUN
eurjchem-2675	110	9	system	system	NOUN
eurjchem-2675	110	10	with	with	ADP
eurjchem-2675	110	11	space	space	NOUN
eurjchem-2675	110	12	group	group	NOUN
eurjchem-2675	110	13	lattice	lattice	PROPN
eurjchem-2675	110	14	parameter	parameter	NOUN
eurjchem-2675	110	15	(	(	PUNCT
eurjchem-2675	110	16	å	å	NOUN
eurjchem-2675	110	17	)	)	PUNCT
eurjchem-2675	110	18	band	band	NOUN
eurjchem-2675	110	19	gap	gap	NOUN
eurjchem-2675	110	20	(	(	PUNCT
eurjchem-2675	110	21	ev	ev	NOUN
eurjchem-2675	110	22	)	)	PUNCT
eurjchem-2675	110	23	software	software	NOUN
eurjchem-2675	110	24	package	package	NOUN
eurjchem-2675	110	25	reference	reference	NOUN
eurjchem-2675	110	26	bahfo3	bahfo3	NOUN
eurjchem-2675	110	27	e	e	NOUN
eurjchem-2675	110	28	cut	cut	NOUN
eurjchem-2675	110	29	=	=	PUNCT
eurjchem-2675	110	30	450	450	NUM
eurjchem-2675	110	31	ev	ev	ADP
eurjchem-2675	110	32	k	k	PROPN
eurjchem-2675	111	1	=	=	PUNCT
eurjchem-2675	111	2	6	6	NUM
eurjchem-2675	111	3	6	6	NUM
eurjchem-2675	111	4	6	6	NUM
eurjchem-2675	111	5	cubic	cubic	ADJ
eurjchem-2675	111	6	(	(	PUNCT
eurjchem-2675	111	7	pm3	pm3	PROPN
eurjchem-2675	111	8	m	m	PROPN
eurjchem-2675	111	9	)	)	PUNCT
eurjchem-2675	111	10	4.2481	4.2481	NUM
eurjchem-2675	111	11	2.99	2.99	NUM
eurjchem-2675	111	12	(	(	PUNCT
eurjchem-2675	111	13	lda	lda	PROPN
eurjchem-2675	111	14	)	)	PUNCT
eurjchem-2675	111	15	material	material	NOUN
eurjchem-2675	111	16	studio	studio	NOUN
eurjchem-2675	111	17	castep	castep	NOUN
eurjchem-2675	111	18	[	[	X
eurjchem-2675	111	19	21	21	NUM
eurjchem-2675	111	20	]	]	PUNCT
eurjchem-2675	111	21	bahfo3	bahfo3	NOUN
eurjchem-2675	111	22	e	e	NOUN
eurjchem-2675	111	23	cut	cut	NOUN
eurjchem-2675	111	24	=	=	SYM
eurjchem-2675	111	25	380	380	NUM
eurjchem-2675	111	26	ev	ev	X
eurjchem-2675	111	27	k	k	PROPN
eurjchem-2675	111	28	=	=	PROPN
eurjchem-2675	111	29	6	6	NUM
eurjchem-2675	111	30	6	6	NUM
eurjchem-2675	111	31	6	6	NUM
eurjchem-2675	111	32	a	a	DET
eurjchem-2675	111	33	=	=	SYM
eurjchem-2675	111	34	b	b	NOUN
eurjchem-2675	111	35	=	=	SYM
eurjchem-2675	111	36	c	c	NOUN
eurjchem-2675	111	37	=	=	PUNCT
eurjchem-2675	111	38	4.24	4.24	NUM
eurjchem-2675	111	39	2.99	2.99	NUM
eurjchem-2675	111	40	(	(	PUNCT
eurjchem-2675	111	41	lda	lda	PROPN
eurjchem-2675	111	42	)	)	PUNCT
eurjchem-2675	111	43	material	material	NOUN
eurjchem-2675	111	44	studio	studio	NOUN
eurjchem-2675	111	45	castep	castep	NOUN
eurjchem-2675	112	1	[	[	X
eurjchem-2675	112	2	22	22	NUM
eurjchem-2675	112	3	]	]	X
eurjchem-2675	112	4	cahfo3	cahfo3	NOUN
eurjchem-2675	112	5	cubic	cubic	PROPN
eurjchem-2675	112	6	(	(	PUNCT
eurjchem-2675	112	7	pm3	pm3	PROPN
eurjchem-2675	112	8	m	m	PROPN
eurjchem-2675	112	9	)	)	PUNCT
eurjchem-2675	112	10	4.16	4.16	NUM
eurjchem-2675	112	11	3.77	3.77	NUM
eurjchem-2675	112	12	(	(	PUNCT
eurjchem-2675	112	13	scan	scan	PROPN
eurjchem-2675	112	14	)	)	PUNCT
eurjchem-2675	112	15	5.81	5.81	NUM
eurjchem-2675	112	16	(	(	PUNCT
eurjchem-2675	112	17	tb	tb	NOUN
eurjchem-2675	112	18	-	-	PUNCT
eurjchem-2675	112	19	mbj	mbj	NOUN
eurjchem-2675	112	20	)	)	PUNCT
eurjchem-2675	113	1	wien2k	wien2k	ADV
eurjchem-2675	113	2	[	[	X
eurjchem-2675	113	3	23	23	NUM
eurjchem-2675	113	4	]	]	PUNCT
eurjchem-2675	113	5	srhfo3	srhfo3	NOUN
eurjchem-2675	113	6	cubic	cubic	ADJ
eurjchem-2675	113	7	(	(	PUNCT
eurjchem-2675	113	8	pm3	pm3	PROPN
eurjchem-2675	113	9	m	m	PROPN
eurjchem-2675	113	10	)	)	PUNCT
eurjchem-2675	113	11	4.11	4.11	NUM
eurjchem-2675	113	12	4.01	4.01	NUM
eurjchem-2675	113	13	(	(	PUNCT
eurjchem-2675	113	14	scan	scan	ADJ
eurjchem-2675	113	15	)	)	PUNCT
eurjchem-2675	113	16	6.34	6.34	NUM
eurjchem-2675	113	17	(	(	PUNCT
eurjchem-2675	113	18	tb	tb	NOUN
eurjchem-2675	113	19	-	-	PUNCT
eurjchem-2675	113	20	mbj	mbj	NOUN
eurjchem-2675	113	21	)	)	PUNCT
eurjchem-2675	114	1	wien2k	wien2k	ADV
eurjchem-2675	114	2	[	[	X
eurjchem-2675	114	3	23	23	NUM
eurjchem-2675	114	4	]	]	PUNCT
eurjchem-2675	114	5	srhfo3	srhfo3	NOUN
eurjchem-2675	115	1	k	k	NOUN
eurjchem-2675	116	1	=	=	NOUN
eurjchem-2675	116	2	4	4	NUM
eurjchem-2675	116	3	4	4	NUM
eurjchem-2675	116	4	3	3	NUM
eurjchem-2675	116	5	orthorombic	orthorombic	ADJ
eurjchem-2675	116	6	(	(	PUNCT
eurjchem-2675	116	7	pbnm	pbnm	NOUN
eurjchem-2675	116	8	)	)	PUNCT
eurjchem-2675	116	9	a	a	DET
eurjchem-2675	116	10	=	=	SYM
eurjchem-2675	116	11	5.86	5.86	NUM
eurjchem-2675	116	12	,	,	PUNCT
eurjchem-2675	116	13	b	b	NOUN
eurjchem-2675	116	14	=	=	SYM
eurjchem-2675	116	15	5.89	5.89	NUM
eurjchem-2675	116	16	,	,	PUNCT
eurjchem-2675	116	17	c	c	X
eurjchem-2675	116	18	=	=	SYM
eurjchem-2675	116	19	8.28	8.28	NUM
eurjchem-2675	116	20	3.4	3.4	NUM
eurjchem-2675	116	21	(	(	PUNCT
eurjchem-2675	116	22	lda	lda	PROPN
eurjchem-2675	116	23	)	)	PUNCT
eurjchem-2675	116	24	material	material	NOUN
eurjchem-2675	116	25	studio	studio	NOUN
eurjchem-2675	116	26	castep	castep	NOUN
eurjchem-2675	116	27	[	[	X
eurjchem-2675	116	28	24	24	NUM
eurjchem-2675	116	29	]	]	PUNCT
eurjchem-2675	116	30	behfo3	behfo3	NOUN
eurjchem-2675	117	1	e	e	NOUN
eurjchem-2675	117	2	cut	cut	NOUN
eurjchem-2675	117	3	=	=	PUNCT
eurjchem-2675	117	4	450	450	NUM
eurjchem-2675	117	5	ev	ev	ADP
eurjchem-2675	117	6	k	k	PROPN
eurjchem-2675	118	1	=	=	PUNCT
eurjchem-2675	119	1	6	6	NUM
eurjchem-2675	119	2	6	6	NUM
eurjchem-2675	119	3	6	6	NUM
eurjchem-2675	119	4	cubic	cubic	ADJ
eurjchem-2675	119	5	(	(	PUNCT
eurjchem-2675	119	6	pm3	pm3	PROPN
eurjchem-2675	119	7	m	m	PROPN
eurjchem-2675	119	8	)	)	PUNCT
eurjchem-2675	119	9	a	a	DET
eurjchem-2675	119	10	=	=	SYM
eurjchem-2675	119	11	b	b	NOUN
eurjchem-2675	119	12	=	=	SYM
eurjchem-2675	119	13	c	c	NOUN
eurjchem-2675	119	14	=	=	PUNCT
eurjchem-2675	119	15	3.780	3.780	NUM
eurjchem-2675	119	16	α	α	NOUN
eurjchem-2675	119	17	=	=	SYM
eurjchem-2675	119	18	β	β	X
eurjchem-2675	119	19	=	=	PUNCT
eurjchem-2675	119	20	γ	γ	X
eurjchem-2675	119	21	=	=	SYM
eurjchem-2675	119	22	90	90	NUM
eurjchem-2675	119	23	°	°	NUM
eurjchem-2675	119	24	0.873	0.873	NUM
eurjchem-2675	119	25	(	(	PUNCT
eurjchem-2675	119	26	pbe	pbe	PROPN
eurjchem-2675	119	27	)	)	PUNCT
eurjchem-2675	119	28	0.887	0.887	NUM
eurjchem-2675	119	29	(	(	PUNCT
eurjchem-2675	119	30	rpbe	rpbe	PROPN
eurjchem-2675	119	31	)	)	PUNCT
eurjchem-2675	119	32	0.781	0.781	NUM
eurjchem-2675	119	33	(	(	PUNCT
eurjchem-2675	119	34	pbe	pbe	PROPN
eurjchem-2675	119	35	sol	sol	NOUN
eurjchem-2675	119	36	)	)	PUNCT
eurjchem-2675	119	37	0.890	0.890	NUM
eurjchem-2675	119	38	(	(	PUNCT
eurjchem-2675	119	39	lda	lda	PROPN
eurjchem-2675	119	40	)	)	PUNCT
eurjchem-2675	119	41	2.925	2.925	NUM
eurjchem-2675	119	42	(	(	PUNCT
eurjchem-2675	119	43	b3lyp	b3lyp	NUM
eurjchem-2675	119	44	)	)	PUNCT
eurjchem-2675	119	45	(	(	PUNCT
eurjchem-2675	119	46	hse06	hse06	PROPN
eurjchem-2675	119	47	)	)	PUNCT
eurjchem-2675	119	48	material	material	NOUN
eurjchem-2675	119	49	studio	studio	NOUN
eurjchem-2675	119	50	castep	castep	NOUN
eurjchem-2675	119	51	this	this	DET
eurjchem-2675	119	52	work	work	NOUN
eurjchem-2675	119	53	figure	figure	NOUN
eurjchem-2675	119	54	4	4	NUM
eurjchem-2675	119	55	.	.	PUNCT
eurjchem-2675	120	1	different	different	ADJ
eurjchem-2675	120	2	partial	partial	ADJ
eurjchem-2675	120	3	states	state	NOUN
eurjchem-2675	120	4	of	of	ADP
eurjchem-2675	120	5	be	be	AUX
eurjchem-2675	120	6	,	,	PUNCT
eurjchem-2675	120	7	hf	hf	VERB
eurjchem-2675	120	8	and	and	CCONJ
eurjchem-2675	120	9	o	o	X
eurjchem-2675	120	10	atom	atom	NOUN
eurjchem-2675	120	11	using	use	VERB
eurjchem-2675	120	12	the	the	DET
eurjchem-2675	120	13	(	(	PUNCT
eurjchem-2675	120	14	a	a	NOUN
eurjchem-2675	120	15	)	)	PUNCT
eurjchem-2675	120	16	pbe	pbe	PROPN
eurjchem-2675	120	17	(	(	PUNCT
eurjchem-2675	120	18	b	b	NOUN
eurjchem-2675	120	19	)	)	PUNCT
eurjchem-2675	120	20	rpbe	rpbe	NOUN
eurjchem-2675	120	21	(	(	PUNCT
eurjchem-2675	120	22	c	c	X
eurjchem-2675	120	23	)	)	PUNCT
eurjchem-2675	120	24	pbe	pbe	PROPN
eurjchem-2675	120	25	sol	sol	NOUN
eurjchem-2675	120	26	(	(	PUNCT
eurjchem-2675	120	27	d	d	X
eurjchem-2675	120	28	)	)	PUNCT
eurjchem-2675	120	29	lda	lda	PROPN
eurjchem-2675	120	30	techniques	technique	NOUN
eurjchem-2675	120	31	.	.	PUNCT
eurjchem-2675	121	1	materials	material	NOUN
eurjchem-2675	121	2	in	in	ADP
eurjchem-2675	121	3	which	which	PRON
eurjchem-2675	121	4	van	van	PROPN
eurjchem-2675	121	5	der	der	ADJ
eurjchem-2675	121	6	waals	waal	NOUN
eurjchem-2675	121	7	or	or	CCONJ
eurjchem-2675	121	8	other	other	ADJ
eurjchem-2675	121	9	weak	weak	ADJ
eurjchem-2675	121	10	interactions	interaction	NOUN
eurjchem-2675	121	11	predominate	predominate	ADJ
eurjchem-2675	121	12	.	.	PUNCT
eurjchem-2675	122	1	as	as	ADP
eurjchem-2675	122	2	a	a	DET
eurjchem-2675	122	3	result	result	NOUN
eurjchem-2675	122	4	,	,	PUNCT
eurjchem-2675	122	5	evaluation	evaluation	NOUN
eurjchem-2675	122	6	of	of	ADP
eurjchem-2675	122	7	mechanical	mechanical	ADJ
eurjchem-2675	122	8	parameters	parameter	NOUN
eurjchem-2675	122	9	is	be	AUX
eurjchem-2675	122	10	a	a	DET
eurjchem-2675	122	11	powerful	powerful	ADJ
eurjchem-2675	122	12	tool	tool	NOUN
eurjchem-2675	122	13	for	for	ADP
eurjchem-2675	122	14	identifying	identify	VERB
eurjchem-2675	122	15	the	the	DET
eurjchem-2675	122	16	most	most	ADV
eurjchem-2675	122	17	common	common	ADJ
eurjchem-2675	122	18	types	type	NOUN
eurjchem-2675	122	19	of	of	ADP
eurjchem-2675	122	20	bonding	bonding	NOUN
eurjchem-2675	122	21	in	in	ADP
eurjchem-2675	122	22	a	a	DET
eurjchem-2675	122	23	material	material	NOUN
eurjchem-2675	122	24	,	,	PUNCT
eurjchem-2675	122	25	whether	whether	SCONJ
eurjchem-2675	122	26	they	they	PRON
eurjchem-2675	122	27	are	be	AUX
eurjchem-2675	122	28	covalent	covalent	ADJ
eurjchem-2675	122	29	,	,	PUNCT
eurjchem-2675	122	30	ionic	ionic	ADJ
eurjchem-2675	122	31	,	,	PUNCT
eurjchem-2675	122	32	metallic	metallic	ADJ
eurjchem-2675	122	33	,	,	PUNCT
eurjchem-2675	122	34	or	or	CCONJ
eurjchem-2675	122	35	weakly	weakly	ADV
eurjchem-2675	122	36	bound	bind	VERB
eurjchem-2675	122	37	.	.	PUNCT
eurjchem-2675	123	1	a	a	DET
eurjchem-2675	123	2	negative	negative	ADJ
eurjchem-2675	123	3	cauchy	cauchy	ADJ
eurjchem-2675	123	4	pressure	pressure	NOUN
eurjchem-2675	123	5	indicates	indicate	VERB
eurjchem-2675	123	6	a	a	DET
eurjchem-2675	123	7	nonmetallic	nonmetallic	ADJ
eurjchem-2675	123	8	and	and	CCONJ
eurjchem-2675	123	9	brittle	brittle	ADJ
eurjchem-2675	123	10	material	material	NOUN
eurjchem-2675	123	11	,	,	PUNCT
eurjchem-2675	123	12	whereas	whereas	SCONJ
eurjchem-2675	123	13	a	a	DET
eurjchem-2675	123	14	positive	positive	ADJ
eurjchem-2675	123	15	value	value	NOUN
eurjchem-2675	123	16	denotes	denote	VERB
eurjchem-2675	123	17	metallic	metallic	ADJ
eurjchem-2675	123	18	and	and	CCONJ
eurjchem-2675	123	19	ductile	ductile	NOUN
eurjchem-2675	123	20	properties	property	NOUN
eurjchem-2675	123	21	.	.	PUNCT
eurjchem-2675	124	1	positive	positive	ADJ
eurjchem-2675	124	2	cauchy	cauchy	ADJ
eurjchem-2675	124	3	pressure	pressure	NOUN
eurjchem-2675	124	4	of	of	ADP
eurjchem-2675	124	5	behfo3	behfo3	NOUN
eurjchem-2675	124	6	indicates	indicate	VERB
eurjchem-2675	124	7	its	its	PRON
eurjchem-2675	124	8	metallic	metallic	ADJ
eurjchem-2675	124	9	characteristics	characteristic	NOUN
eurjchem-2675	124	10	and	and	CCONJ
eurjchem-2675	124	11	ductility	ductility	NOUN
eurjchem-2675	124	12	.	.	PUNCT
eurjchem-2675	125	1	brittleness	brittleness	NOUN
eurjchem-2675	125	2	is	be	AUX
eurjchem-2675	125	3	determined	determine	VERB
eurjchem-2675	125	4	by	by	ADP
eurjchem-2675	125	5	whether	whether	SCONJ
eurjchem-2675	125	6	the	the	DET
eurjchem-2675	125	7	b	b	NOUN
eurjchem-2675	125	8	/	/	SYM
eurjchem-2675	125	9	g	g	NOUN
eurjchem-2675	125	10	is	be	AUX
eurjchem-2675	125	11	equal	equal	ADJ
eurjchem-2675	125	12	to	to	ADP
eurjchem-2675	125	13	or	or	CCONJ
eurjchem-2675	125	14	greater	great	ADJ
eurjchem-2675	125	15	than	than	ADP
eurjchem-2675	125	16	1.75	1.75	NUM
eurjchem-2675	125	17	.	.	PUNCT
eurjchem-2675	126	1	in	in	ADP
eurjchem-2675	126	2	contrast	contrast	NOUN
eurjchem-2675	126	3	,	,	PUNCT
eurjchem-2675	126	4	ductile	ductile	NOUN
eurjchem-2675	126	5	qualities	quality	NOUN
eurjchem-2675	126	6	are	be	AUX
eurjchem-2675	126	7	exhibited	exhibit	VERB
eurjchem-2675	126	8	by	by	ADP
eurjchem-2675	126	9	a	a	DET
eurjchem-2675	126	10	material	material	NOUN
eurjchem-2675	126	11	with	with	ADP
eurjchem-2675	126	12	a	a	DET
eurjchem-2675	126	13	b	b	NOUN
eurjchem-2675	126	14	/	/	SYM
eurjchem-2675	126	15	g	g	NOUN
eurjchem-2675	126	16	below	below	ADP
eurjchem-2675	126	17	1.75	1.75	NUM
eurjchem-2675	126	18	.	.	PUNCT
eurjchem-2675	127	1	using	use	VERB
eurjchem-2675	127	2	the	the	DET
eurjchem-2675	127	3	pbe	pbe	PROPN
eurjchem-2675	127	4	,	,	PUNCT
eurjchem-2675	127	5	rpbe	rpbe	NOUN
eurjchem-2675	127	6	,	,	PUNCT
eurjchem-2675	127	7	and	and	CCONJ
eurjchem-2675	127	8	pbe	pbe	PROPN
eurjchem-2675	127	9	sol	sol	NOUN
eurjchem-2675	127	10	methods	method	NOUN
eurjchem-2675	127	11	,	,	PUNCT
eurjchem-2675	127	12	the	the	DET
eurjchem-2675	127	13	pugh	pugh	NOUN
eurjchem-2675	127	14	's	's	PART
eurjchem-2675	127	15	ratio	ratio	NOUN
eurjchem-2675	127	16	(	(	PUNCT
eurjchem-2675	127	17	b	b	X
eurjchem-2675	127	18	/	/	SYM
eurjchem-2675	127	19	g	g	NOUN
eurjchem-2675	127	20	)	)	PUNCT
eurjchem-2675	127	21	in	in	ADP
eurjchem-2675	127	22	these	these	DET
eurjchem-2675	127	23	calculations	calculation	NOUN
eurjchem-2675	127	24	was	be	AUX
eurjchem-2675	127	25	found	find	VERB
eurjchem-2675	127	26	to	to	PART
eurjchem-2675	127	27	be	be	AUX
eurjchem-2675	127	28	0.69	0.69	NUM
eurjchem-2675	127	29	,	,	PUNCT
eurjchem-2675	127	30	0.75	0.75	NUM
eurjchem-2675	127	31	,	,	PUNCT
eurjchem-2675	127	32	and	and	CCONJ
eurjchem-2675	127	33	0.72	0.72	NUM
eurjchem-2675	127	34	,	,	PUNCT
eurjchem-2675	127	35	respectively	respectively	ADV
eurjchem-2675	127	36	.	.	PUNCT
eurjchem-2675	128	1	on	on	ADP
eurjchem-2675	128	2	the	the	DET
eurjchem-2675	128	3	basis	basis	NOUN
eurjchem-2675	128	4	of	of	ADP
eurjchem-2675	128	5	these	these	DET
eurjchem-2675	128	6	results	result	NOUN
eurjchem-2675	128	7	,	,	PUNCT
eurjchem-2675	128	8	it	it	PRON
eurjchem-2675	128	9	appears	appear	VERB
eurjchem-2675	128	10	that	that	SCONJ
eurjchem-2675	128	11	the	the	DET
eurjchem-2675	128	12	substance	substance	NOUN
eurjchem-2675	128	13	is	be	AUX
eurjchem-2675	128	14	ductile	ductile	NOUN
eurjchem-2675	128	15	.	.	PUNCT
eurjchem-2675	129	1	the	the	DET
eurjchem-2675	129	2	fact	fact	NOUN
eurjchem-2675	129	3	that	that	SCONJ
eurjchem-2675	129	4	our	our	PRON
eurjchem-2675	129	5	present	present	ADJ
eurjchem-2675	129	6	calculations	calculation	NOUN
eurjchem-2675	129	7	are	be	AUX
eurjchem-2675	129	8	supported	support	VERB
eurjchem-2675	129	9	by	by	ADP
eurjchem-2675	129	10	the	the	DET
eurjchem-2675	129	11	cauchy	cauchy	ADJ
eurjchem-2675	129	12	pressure	pressure	NOUN
eurjchem-2675	129	13	and	and	CCONJ
eurjchem-2675	129	14	pugh	pugh	PROPN
eurjchem-2675	129	15	's	's	PART
eurjchem-2675	129	16	ratio	ratio	NOUN
eurjchem-2675	129	17	indicates	indicate	VERB
eurjchem-2675	129	18	that	that	SCONJ
eurjchem-2675	129	19	they	they	PRON
eurjchem-2675	129	20	behave	behave	VERB
eurjchem-2675	129	21	similarly	similarly	ADV
eurjchem-2675	129	22	.	.	PUNCT
eurjchem-2675	130	1	the	the	DET
eurjchem-2675	130	2	ductile	ductile	NOUN
eurjchem-2675	130	3	characteristics	characteristic	NOUN
eurjchem-2675	130	4	of	of	ADP
eurjchem-2675	130	5	behfo3	behfo3	PROPN
eurjchem-2675	130	6	perovskite	perovskite	NOUN
eurjchem-2675	130	7	,	,	PUNCT
eurjchem-2675	130	8	evidenced	evidence	VERB
eurjchem-2675	130	9	by	by	ADP
eurjchem-2675	130	10	its	its	PRON
eurjchem-2675	130	11	mechanical	mechanical	ADJ
eurjchem-2675	130	12	properties	property	NOUN
eurjchem-2675	130	13	(	(	PUNCT
eurjchem-2675	130	14	such	such	ADJ
eurjchem-2675	130	15	as	as	ADP
eurjchem-2675	130	16	positive	positive	ADJ
eurjchem-2675	130	17	cauchy	cauchy	NOUN
eurjchem-2675	130	18	pressure	pressure	NOUN
eurjchem-2675	130	19	,	,	PUNCT
eurjchem-2675	130	20	pugh	pugh	PROPN
eurjchem-2675	130	21	’s	’s	PART
eurjchem-2675	130	22	ratio	ratio	NOUN
eurjchem-2675	130	23	greater	great	ADJ
eurjchem-2675	130	24	than	than	ADP
eurjchem-2675	130	25	1.75	1.75	NUM
eurjchem-2675	130	26	)	)	PUNCT
eurjchem-2675	130	27	,	,	PUNCT
eurjchem-2675	130	28	indicate	indicate	VERB
eurjchem-2675	130	29	its	its	PRON
eurjchem-2675	130	30	potential	potential	ADJ
eurjchem-2675	130	31	use	use	NOUN
eurjchem-2675	130	32	in	in	ADP
eurjchem-2675	130	33	flexible	flexible	ADJ
eurjchem-2675	130	34	electronic	electronic	ADJ
eurjchem-2675	130	35	and	and	CCONJ
eurjchem-2675	130	36	mechanical	mechanical	ADJ
eurjchem-2675	130	37	domains	domain	NOUN
eurjchem-2675	130	38	.	.	PUNCT
eurjchem-2675	131	1	ductility	ductility	NOUN
eurjchem-2675	131	2	is	be	AUX
eurjchem-2675	131	3	an	an	DET
eurjchem-2675	131	4	essential	essential	ADJ
eurjchem-2675	131	5	characteristic	characteristic	NOUN
eurjchem-2675	131	6	for	for	ADP
eurjchem-2675	131	7	materials	material	NOUN
eurjchem-2675	131	8	designed	design	VERB
eurjchem-2675	131	9	for	for	ADP
eurjchem-2675	131	10	flexible	flexible	ADJ
eurjchem-2675	131	11	or	or	CCONJ
eurjchem-2675	131	12	extensible	extensible	ADJ
eurjchem-2675	131	13	devices	device	NOUN
eurjchem-2675	131	14	,	,	PUNCT
eurjchem-2675	131	15	which	which	PRON
eurjchem-2675	131	16	allows	allow	VERB
eurjchem-2675	131	17	them	they	PRON
eurjchem-2675	131	18	to	to	PART
eurjchem-2675	131	19	withstand	withstand	VERB
eurjchem-2675	131	20	mechanical	mechanical	ADJ
eurjchem-2675	131	21	deformation	deformation	NOUN
eurjchem-2675	131	22	without	without	ADP
eurjchem-2675	131	23	breaking	break	VERB
eurjchem-2675	131	24	.	.	PUNCT
eurjchem-2675	132	1	the	the	DET
eurjchem-2675	132	2	mechanical	mechanical	ADJ
eurjchem-2675	132	3	flexibility	flexibility	NOUN
eurjchem-2675	132	4	of	of	ADP
eurjchem-2675	132	5	behfo3	behfo3	NOUN
eurjchem-2675	132	6	,	,	PUNCT
eurjchem-2675	132	7	together	together	ADV
eurjchem-2675	132	8	with	with	ADP
eurjchem-2675	132	9	its	its	PRON
eurjchem-2675	132	10	advantageous	advantageous	ADJ
eurjchem-2675	132	11	electrical	electrical	ADJ
eurjchem-2675	132	12	and	and	CCONJ
eurjchem-2675	132	13	optical	optical	ADJ
eurjchem-2675	132	14	characteristics	characteristic	NOUN
eurjchem-2675	132	15	,	,	PUNCT
eurjchem-2675	132	16	positions	position	VERB
eurjchem-2675	132	17	it	it	PRON
eurjchem-2675	132	18	as	as	ADP
eurjchem-2675	132	19	a	a	DET
eurjchem-2675	132	20	viable	viable	ADJ
eurjchem-2675	132	21	option	option	NOUN
eurjchem-2675	132	22	for	for	ADP
eurjchem-2675	132	23	applications	application	NOUN
eurjchem-2675	132	24	in	in	ADP
eurjchem-2675	132	25	next	next	ADJ
eurjchem-2675	132	26	generation	generation	NOUN
eurjchem-2675	132	27	flexible	flexible	ADJ
eurjchem-2675	132	28	optoelectronic	optoelectronic	ADJ
eurjchem-2675	132	29	and	and	CCONJ
eurjchem-2675	132	30	wearable	wearable	ADJ
eurjchem-2675	132	31	devices	device	NOUN
eurjchem-2675	132	32	.	.	PUNCT
eurjchem-2675	133	1	the	the	DET
eurjchem-2675	133	2	elevated	elevated	ADJ
eurjchem-2675	133	3	bulk	bulk	ADJ
eurjchem-2675	133	4	modulus	modulus	NOUN
eurjchem-2675	133	5	of	of	ADP
eurjchem-2675	133	6	behfo3	behfo3	NOUN
eurjchem-2675	133	7	signifies	signifie	NOUN
eurjchem-2675	133	8	increased	increase	VERB
eurjchem-2675	133	9	elasticity	elasticity	NOUN
eurjchem-2675	133	10	,	,	PUNCT
eurjchem-2675	133	11	incompressibility	incompressibility	NOUN
eurjchem-2675	133	12	,	,	PUNCT
eurjchem-2675	133	13	and	and	CCONJ
eurjchem-2675	133	14	rigidity	rigidity	NOUN
eurjchem-2675	133	15	compared	compare	VERB
eurjchem-2675	133	16	to	to	ADP
eurjchem-2675	133	17	comparable	comparable	ADJ
eurjchem-2675	133	18	materials	material	NOUN
eurjchem-2675	133	19	.	.	PUNCT
eurjchem-2675	134	1	its	its	PRON
eurjchem-2675	134	2	high	high	ADJ
eurjchem-2675	134	3	shear	shear	NOUN
eurjchem-2675	134	4	modulus	modulus	ADJ
eurjchem-2675	134	5	verifies	verifie	NOUN
eurjchem-2675	134	6	the	the	DET
eurjchem-2675	134	7	material	material	NOUN
eurjchem-2675	134	8	's	's	PART
eurjchem-2675	134	9	resistance	resistance	NOUN
eurjchem-2675	134	10	to	to	ADP
eurjchem-2675	134	11	shear	shear	NOUN
eurjchem-2675	134	12	distortion	distortion	NOUN
eurjchem-2675	134	13	and	and	CCONJ
eurjchem-2675	134	14	its	its	PRON
eurjchem-2675	134	15	robustness	robustness	NOUN
eurjchem-2675	134	16	under	under	ADP
eurjchem-2675	134	17	shear	shear	NOUN
eurjchem-2675	134	18	stress	stress	NOUN
eurjchem-2675	134	19	[	[	X
eurjchem-2675	134	20	34	34	NUM
eurjchem-2675	134	21	]	]	PUNCT
eurjchem-2675	134	22	.	.	PUNCT
eurjchem-2675	135	1	substances	substance	NOUN
eurjchem-2675	135	2	with	with	ADP
eurjchem-2675	135	3	poisson	poisson	PROPN
eurjchem-2675	135	4	's	's	PART
eurjchem-2675	135	5	ratios	ratio	NOUN
eurjchem-2675	135	6	approaching	approach	VERB
eurjchem-2675	135	7	0.5	0.5	NUM
eurjchem-2675	135	8	demonstrate	demonstrate	NOUN
eurjchem-2675	135	9	poor	poor	ADJ
eurjchem-2675	135	10	bonding	bonding	NOUN
eurjchem-2675	135	11	,	,	PUNCT
eurjchem-2675	135	12	whereas	whereas	SCONJ
eurjchem-2675	135	13	lower	low	ADJ
eurjchem-2675	135	14	values	value	NOUN
eurjchem-2675	135	15	signify	signify	VERB
eurjchem-2675	135	16	stiffer	stiff	ADJ
eurjchem-2675	135	17	and	and	CCONJ
eurjchem-2675	135	18	more	more	ADV
eurjchem-2675	135	19	robust	robust	ADJ
eurjchem-2675	135	20	atomic	atomic	ADJ
eurjchem-2675	135	21	connections	connection	NOUN
eurjchem-2675	135	22	.	.	PUNCT
eurjchem-2675	136	1	behfo3	behfo3	NOUN
eurjchem-2675	137	1	that	that	PRON
eurjchem-2675	137	2	exhibits	exhibit	VERB
eurjchem-2675	137	3	poisson	poisson	NOUN
eurjchem-2675	137	4	ratios	ratio	NOUN
eurjchem-2675	137	5	of	of	ADP
eurjchem-2675	137	6	0.17	0.17	NUM
eurjchem-2675	137	7	,	,	PUNCT
eurjchem-2675	137	8	0.19	0.19	NUM
eurjchem-2675	137	9	,	,	PUNCT
eurjchem-2675	137	10	and	and	CCONJ
eurjchem-2675	137	11	0.21	0.21	NUM
eurjchem-2675	137	12	,	,	PUNCT
eurjchem-2675	137	13	indicates	indicate	VERB
eurjchem-2675	137	14	robust	robust	ADJ
eurjchem-2675	137	15	atomic	atomic	ADJ
eurjchem-2675	137	16	bonding	bonding	NOUN
eurjchem-2675	137	17	and	and	CCONJ
eurjchem-2675	137	18	elevated	elevated	ADJ
eurjchem-2675	137	19	stiffness	stiffness	NOUN
eurjchem-2675	137	20	[	[	X
eurjchem-2675	137	21	35	35	NUM
eurjchem-2675	137	22	]	]	PUNCT
eurjchem-2675	137	23	.	.	PUNCT
eurjchem-2675	138	1	the	the	DET
eurjchem-2675	138	2	universal	universal	ADJ
eurjchem-2675	138	3	anisotropy	anisotropy	NOUN
eurjchem-2675	138	4	factor	factor	NOUN
eurjchem-2675	138	5	quantifies	quantify	VERB
eurjchem-2675	138	6	the	the	DET
eurjchem-2675	138	7	changes	change	NOUN
eurjchem-2675	138	8	in	in	ADP
eurjchem-2675	138	9	stiffness	stiffness	NOUN
eurjchem-2675	138	10	among	among	ADP
eurjchem-2675	138	11	crystallographic	crystallographic	ADJ
eurjchem-2675	138	12	orientations	orientation	NOUN
eurjchem-2675	138	13	.	.	PUNCT
eurjchem-2675	139	1	a	a	DET
eurjchem-2675	139	2	number	number	NOUN
eurjchem-2675	139	3	of	of	ADP
eurjchem-2675	139	4	1	1	NUM
eurjchem-2675	139	5	signifies	signifie	NOUN
eurjchem-2675	139	6	isotropic	isotropic	ADJ
eurjchem-2675	139	7	elastic	elastic	ADJ
eurjchem-2675	139	8	characteristics	characteristic	NOUN
eurjchem-2675	139	9	,	,	PUNCT
eurjchem-2675	139	10	but	but	CCONJ
eurjchem-2675	139	11	values	value	NOUN
eurjchem-2675	139	12	less	less	ADJ
eurjchem-2675	139	13	than	than	ADP
eurjchem-2675	139	14	1	1	NUM
eurjchem-2675	139	15	imply	imply	NOUN
eurjchem-2675	139	16	anisotropy	anisotropy	VERB
eurjchem-2675	139	17	.	.	PUNCT
eurjchem-2675	140	1	al	al	PROPN
eurjchem-2675	140	2	masud	masud	PROPN
eurjchem-2675	140	3	et	et	PROPN
eurjchem-2675	140	4	al	al	PROPN
eurjchem-2675	140	5	.	.	PUNCT
eurjchem-2675	140	6	/	/	SYM
eurjchem-2675	140	7	european	european	PROPN
eurjchem-2675	140	8	journal	journal	PROPN
eurjchem-2675	140	9	of	of	ADP
eurjchem-2675	140	10	chemistry	chemistry	NOUN
eurjchem-2675	140	11	16	16	NUM
eurjchem-2675	140	12	(	(	PUNCT
eurjchem-2675	140	13	3	3	NUM
eurjchem-2675	140	14	)	)	PUNCT
eurjchem-2675	140	15	(	(	PUNCT
eurjchem-2675	140	16	2025	2025	NUM
eurjchem-2675	140	17	)	)	PUNCT
eurjchem-2675	140	18	292	292	NUM
eurjchem-2675	140	19	-	-	SYM
eurjchem-2675	140	20	301	301	NUM
eurjchem-2675	140	21	297	297	NUM
eurjchem-2675	140	22	2025	2025	NUM
eurjchem-2675	140	23	–	–	PUNCT
eurjchem-2675	140	24	european	european	ADJ
eurjchem-2675	140	25	journal	journal	NOUN
eurjchem-2675	140	26	of	of	ADP
eurjchem-2675	140	27	chemistry	chemistry	NOUN
eurjchem-2675	140	28	–	–	PUNCT
eurjchem-2675	140	29	cc	cc	NOUN
eurjchem-2675	140	30	by	by	ADP
eurjchem-2675	140	31	nc	nc	PROPN
eurjchem-2675	140	32	–	–	PUNCT
eurjchem-2675	140	33	doi	doi	NOUN
eurjchem-2675	140	34	:	:	PUNCT
eurjchem-2675	140	35	10.5155	10.5155	NUM
eurjchem-2675	140	36	/	/	SYM
eurjchem-2675	140	37	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	140	38	-	-	SYM
eurjchem-2675	140	39	301.2675	301.2675	NUM
eurjchem-2675	140	40	table	table	NOUN
eurjchem-2675	140	41	5	5	NUM
eurjchem-2675	140	42	.	.	PUNCT
eurjchem-2675	140	43	elastic	elastic	ADJ
eurjchem-2675	140	44	constants	constant	NOUN
eurjchem-2675	140	45	,	,	PUNCT
eurjchem-2675	140	46	cauchy	cauchy	NOUN
eurjchem-2675	140	47	pressure	pressure	NOUN
eurjchem-2675	140	48	,	,	PUNCT
eurjchem-2675	140	49	modulus	modulus	NOUN
eurjchem-2675	140	50	of	of	ADP
eurjchem-2675	140	51	bulk	bulk	NOUN
eurjchem-2675	140	52	,	,	PUNCT
eurjchem-2675	140	53	young	young	ADJ
eurjchem-2675	140	54	,	,	PUNCT
eurjchem-2675	140	55	shear	shear	NOUN
eurjchem-2675	140	56	,	,	PUNCT
eurjchem-2675	140	57	(	(	PUNCT
eurjchem-2675	140	58	b	b	X
eurjchem-2675	140	59	/	/	SYM
eurjchem-2675	140	60	g	g	NOUN
eurjchem-2675	140	61	)	)	PUNCT
eurjchem-2675	140	62	,	,	PUNCT
eurjchem-2675	140	63	poisson	poisson	PROPN
eurjchem-2675	140	64	's	's	PART
eurjchem-2675	140	65	ratio	ratio	NOUN
eurjchem-2675	140	66	and	and	CCONJ
eurjchem-2675	140	67	anisotropy	anisotropy	NOUN
eurjchem-2675	140	68	factor	factor	NOUN
eurjchem-2675	140	69	.	.	PUNCT
eurjchem-2675	141	1	method	method	PROPN
eurjchem-2675	141	2	c11	c11	PROPN
eurjchem-2675	141	3	c12	c12	PROPN
eurjchem-2675	141	4	c44	c44	PROPN
eurjchem-2675	141	5	c12	c12	NOUN
eurjchem-2675	141	6	-	-	PUNCT
eurjchem-2675	141	7	c44	c44	PROPN
eurjchem-2675	141	8	b	b	NOUN
eurjchem-2675	141	9	y	y	PROPN
eurjchem-2675	141	10	g	g	PROPN
eurjchem-2675	141	11	b	b	PROPN
eurjchem-2675	141	12	/	/	SYM
eurjchem-2675	141	13	g	g	PROPN
eurjchem-2675	141	14	v	v	NOUN
eurjchem-2675	141	15	a	a	DET
eurjchem-2675	141	16	pbe	pbe	PROPN
eurjchem-2675	141	17	12.86	12.86	NUM
eurjchem-2675	141	18	77.44	77.44	NUM
eurjchem-2675	141	19	58.12	58.12	NUM
eurjchem-2675	141	20	19.32	19.32	NUM
eurjchem-2675	141	21	34.01	34.01	NUM
eurjchem-2675	141	22	282.11	282.11	NUM
eurjchem-2675	141	23	48.93	48.93	NUM
eurjchem-2675	141	24	0.69	0.69	NUM
eurjchem-2675	141	25	0.17	0.17	NUM
eurjchem-2675	141	26	0.30	0.30	NUM
eurjchem-2675	141	27	rpbe	rpbe	VERB
eurjchem-2675	141	28	15.21	15.21	NUM
eurjchem-2675	141	29	75.18	75.18	NUM
eurjchem-2675	141	30	57.34	57.34	NUM
eurjchem-2675	141	31	17.84	17.84	NUM
eurjchem-2675	141	32	35.05	35.05	NUM
eurjchem-2675	141	33	249.93	249.93	NUM
eurjchem-2675	141	34	46.48	46.48	NUM
eurjchem-2675	141	35	0.75	0.75	NUM
eurjchem-2675	141	36	0.19	0.19	NUM
eurjchem-2675	141	37	0.38	0.38	NUM
eurjchem-2675	141	38	ppbesol	ppbesol	VERB
eurjchem-2675	141	39	14.11	14.11	NUM
eurjchem-2675	141	40	71.29	71.29	NUM
eurjchem-2675	141	41	57.93	57.93	NUM
eurjchem-2675	141	42	13.36	13.36	NUM
eurjchem-2675	141	43	36.15	36.15	NUM
eurjchem-2675	141	44	276.65	276.65	NUM
eurjchem-2675	141	45	49.84	49.84	NUM
eurjchem-2675	141	46	0.72	0.72	NUM
eurjchem-2675	141	47	0.21	0.21	NUM
eurjchem-2675	141	48	0.23	0.23	NUM
eurjchem-2675	141	49	figure	figure	NOUN
eurjchem-2675	141	50	5	5	NUM
eurjchem-2675	141	51	.	.	PUNCT
eurjchem-2675	142	1	enthalpy	enthalpy	NOUN
eurjchem-2675	142	2	,	,	PUNCT
eurjchem-2675	142	3	entropy	entropy	PROPN
eurjchem-2675	142	4	,	,	PUNCT
eurjchem-2675	142	5	free	free	ADJ
eurjchem-2675	142	6	energy	energy	NOUN
eurjchem-2675	142	7	of	of	ADP
eurjchem-2675	142	8	behfo3	behfo3	NOUN
eurjchem-2675	142	9	in	in	ADP
eurjchem-2675	142	10	(	(	PUNCT
eurjchem-2675	142	11	a	a	X
eurjchem-2675	142	12	)	)	PUNCT
eurjchem-2675	142	13	pbe	pbe	PROPN
eurjchem-2675	142	14	,	,	PUNCT
eurjchem-2675	142	15	(	(	PUNCT
eurjchem-2675	142	16	b	b	NOUN
eurjchem-2675	142	17	)	)	PUNCT
eurjchem-2675	142	18	rpbe	rpbe	NOUN
eurjchem-2675	142	19	,	,	PUNCT
eurjchem-2675	142	20	(	(	PUNCT
eurjchem-2675	142	21	c	c	X
eurjchem-2675	142	22	)	)	PUNCT
eurjchem-2675	142	23	pbesol	pbesol	NOUN
eurjchem-2675	142	24	and	and	CCONJ
eurjchem-2675	142	25	(	(	PUNCT
eurjchem-2675	142	26	d	d	X
eurjchem-2675	142	27	)	)	PUNCT
eurjchem-2675	142	28	lda	lda	PROPN
eurjchem-2675	142	29	methods	method	NOUN
eurjchem-2675	142	30	.	.	PUNCT
eurjchem-2675	143	1	figure	figure	NOUN
eurjchem-2675	143	2	6	6	NUM
eurjchem-2675	143	3	.	.	PUNCT
eurjchem-2675	144	1	(	(	PUNCT
eurjchem-2675	144	2	a	a	X
eurjchem-2675	144	3	)	)	PUNCT
eurjchem-2675	144	4	optical	optical	ADJ
eurjchem-2675	144	5	reflectivity	reflectivity	NOUN
eurjchem-2675	144	6	and	and	CCONJ
eurjchem-2675	144	7	(	(	PUNCT
eurjchem-2675	144	8	b	b	NOUN
eurjchem-2675	144	9	)	)	PUNCT
eurjchem-2675	144	10	loss	loss	NOUN
eurjchem-2675	144	11	function	function	NOUN
eurjchem-2675	144	12	of	of	ADP
eurjchem-2675	144	13	the	the	DET
eurjchem-2675	144	14	behfo3	behfo3	NOUN
eurjchem-2675	144	15	crystal	crystal	PROPN
eurjchem-2675	144	16	.	.	PUNCT
eurjchem-2675	145	1	the	the	DET
eurjchem-2675	145	2	anisotropy	anisotropy	NOUN
eurjchem-2675	145	3	index	index	NOUN
eurjchem-2675	145	4	of	of	ADP
eurjchem-2675	145	5	behfo3	behfo3	NOUN
eurjchem-2675	145	6	,	,	PUNCT
eurjchem-2675	145	7	measuring	measure	VERB
eurjchem-2675	145	8	0.30	0.30	NUM
eurjchem-2675	145	9	,	,	PUNCT
eurjchem-2675	145	10	0.38	0.38	NUM
eurjchem-2675	145	11	,	,	PUNCT
eurjchem-2675	145	12	and	and	CCONJ
eurjchem-2675	145	13	0.23	0.23	NUM
eurjchem-2675	145	14	,	,	PUNCT
eurjchem-2675	145	15	indicates	indicate	VERB
eurjchem-2675	145	16	directional	directional	ADJ
eurjchem-2675	145	17	discrepancies	discrepancy	NOUN
eurjchem-2675	145	18	in	in	ADP
eurjchem-2675	145	19	its	its	PRON
eurjchem-2675	145	20	elastic	elastic	ADJ
eurjchem-2675	145	21	characteristics	characteristic	NOUN
eurjchem-2675	145	22	,	,	PUNCT
eurjchem-2675	145	23	encompassing	encompass	VERB
eurjchem-2675	145	24	stiffness	stiffness	NOUN
eurjchem-2675	145	25	[	[	X
eurjchem-2675	145	26	36	36	NUM
eurjchem-2675	145	27	]	]	PUNCT
eurjchem-2675	145	28	.	.	PUNCT
eurjchem-2675	146	1	external	external	ADJ
eurjchem-2675	146	2	pressure	pressure	NOUN
eurjchem-2675	146	3	or	or	CCONJ
eurjchem-2675	146	4	strain	strain	VERB
eurjchem-2675	146	5	markedly	markedly	ADV
eurjchem-2675	146	6	affects	affect	VERB
eurjchem-2675	146	7	the	the	DET
eurjchem-2675	146	8	mechanical	mechanical	ADJ
eurjchem-2675	146	9	characteristics	characteristic	NOUN
eurjchem-2675	146	10	of	of	ADP
eurjchem-2675	146	11	perovskite	perovskite	ADJ
eurjchem-2675	146	12	materials	material	NOUN
eurjchem-2675	146	13	,	,	PUNCT
eurjchem-2675	146	14	such	such	ADJ
eurjchem-2675	146	15	as	as	ADP
eurjchem-2675	146	16	behfo3	behfo3	NOUN
eurjchem-2675	146	17	.	.	PUNCT
eurjchem-2675	147	1	pressure	pressure	NOUN
eurjchem-2675	147	2	or	or	CCONJ
eurjchem-2675	147	3	epitaxial	epitaxial	ADJ
eurjchem-2675	147	4	strain	strain	NOUN
eurjchem-2675	147	5	can	can	AUX
eurjchem-2675	147	6	influence	influence	VERB
eurjchem-2675	147	7	elastic	elastic	ADJ
eurjchem-2675	147	8	constants	constant	NOUN
eurjchem-2675	147	9	,	,	PUNCT
eurjchem-2675	147	10	bulk	bulk	ADJ
eurjchem-2675	147	11	modulus	modulus	NOUN
eurjchem-2675	147	12	,	,	PUNCT
eurjchem-2675	147	13	and	and	CCONJ
eurjchem-2675	147	14	shear	shear	NOUN
eurjchem-2675	147	15	modulus	modulus	NOUN
eurjchem-2675	147	16	,	,	PUNCT
eurjchem-2675	147	17	frequently	frequently	ADV
eurjchem-2675	147	18	increasing	increase	VERB
eurjchem-2675	147	19	mechanical	mechanical	ADJ
eurjchem-2675	147	20	stability	stability	NOUN
eurjchem-2675	147	21	by	by	ADP
eurjchem-2675	147	22	diminishing	diminish	VERB
eurjchem-2675	147	23	structural	structural	ADJ
eurjchem-2675	147	24	distortions	distortion	NOUN
eurjchem-2675	147	25	and	and	CCONJ
eurjchem-2675	147	26	increasing	increase	VERB
eurjchem-2675	147	27	bond	bond	NOUN
eurjchem-2675	147	28	strength	strength	NOUN
eurjchem-2675	147	29	.	.	PUNCT
eurjchem-2675	148	1	in	in	ADP
eurjchem-2675	148	2	the	the	DET
eurjchem-2675	148	3	case	case	NOUN
eurjchem-2675	148	4	of	of	ADP
eurjchem-2675	148	5	behfo3	behfo3	NOUN
eurjchem-2675	148	6	,	,	PUNCT
eurjchem-2675	148	7	external	external	ADJ
eurjchem-2675	148	8	modulation	modulation	NOUN
eurjchem-2675	148	9	,	,	PUNCT
eurjchem-2675	148	10	such	such	ADJ
eurjchem-2675	148	11	as	as	ADP
eurjchem-2675	148	12	compressive	compressive	ADJ
eurjchem-2675	148	13	or	or	CCONJ
eurjchem-2675	148	14	tensile	tensile	NOUN
eurjchem-2675	148	15	stress	stress	NOUN
eurjchem-2675	148	16	,	,	PUNCT
eurjchem-2675	148	17	can	can	AUX
eurjchem-2675	148	18	stabilize	stabilize	VERB
eurjchem-2675	148	19	the	the	DET
eurjchem-2675	148	20	perovskite	perovskite	NOUN
eurjchem-2675	148	21	phase	phase	NOUN
eurjchem-2675	148	22	by	by	ADP
eurjchem-2675	148	23	modifying	modify	VERB
eurjchem-2675	148	24	the	the	DET
eurjchem-2675	148	25	lengths	length	NOUN
eurjchem-2675	148	26	and	and	CCONJ
eurjchem-2675	148	27	angles	angle	NOUN
eurjchem-2675	148	28	of	of	ADP
eurjchem-2675	148	29	the	the	DET
eurjchem-2675	148	30	hf	hf	NOUN
eurjchem-2675	148	31	-	-	PUNCT
eurjchem-2675	148	32	o	o	NOUN
eurjchem-2675	148	33	and	and	CCONJ
eurjchem-2675	148	34	be	be	PROPN
eurjchem-2675	148	35	-	-	PUNCT
eurjchem-2675	148	36	o	o	NOUN
eurjchem-2675	148	37	link	link	NOUN
eurjchem-2675	148	38	,	,	PUNCT
eurjchem-2675	148	39	which	which	PRON
eurjchem-2675	148	40	influences	influence	VERB
eurjchem-2675	148	41	the	the	DET
eurjchem-2675	148	42	lattice	lattice	NOUN
eurjchem-2675	148	43	dynamics	dynamic	NOUN
eurjchem-2675	148	44	and	and	CCONJ
eurjchem-2675	148	45	resistance	resistance	NOUN
eurjchem-2675	148	46	to	to	ADP
eurjchem-2675	148	47	deformation	deformation	NOUN
eurjchem-2675	148	48	.	.	PUNCT
eurjchem-2675	149	1	consequently	consequently	ADV
eurjchem-2675	149	2	,	,	PUNCT
eurjchem-2675	149	3	strain	strain	ADJ
eurjchem-2675	149	4	engineering	engineering	NOUN
eurjchem-2675	149	5	presents	present	NOUN
eurjchem-2675	149	6	a	a	DET
eurjchem-2675	149	7	feasible	feasible	ADJ
eurjchem-2675	149	8	approach	approach	NOUN
eurjchem-2675	149	9	to	to	PART
eurjchem-2675	149	10	enhance	enhance	VERB
eurjchem-2675	149	11	the	the	DET
eurjchem-2675	149	12	structural	structural	ADJ
eurjchem-2675	149	13	integrity	integrity	NOUN
eurjchem-2675	149	14	and	and	CCONJ
eurjchem-2675	149	15	mechanical	mechanical	ADJ
eurjchem-2675	149	16	efficacy	efficacy	NOUN
eurjchem-2675	149	17	of	of	ADP
eurjchem-2675	149	18	behfo3	behfo3	NOUN
eurjchem-2675	149	19	,	,	PUNCT
eurjchem-2675	149	20	possibly	possibly	ADV
eurjchem-2675	149	21	enhancing	enhance	VERB
eurjchem-2675	149	22	its	its	PRON
eurjchem-2675	149	23	use	use	NOUN
eurjchem-2675	149	24	in	in	ADP
eurjchem-2675	149	25	functional	functional	ADJ
eurjchem-2675	149	26	devices	device	NOUN
eurjchem-2675	149	27	.	.	PUNCT
eurjchem-2675	150	1	3.4	3.4	NUM
eurjchem-2675	150	2	.	.	PUNCT
eurjchem-2675	150	3	thermo	thermo	NOUN
eurjchem-2675	150	4	-	-	PUNCT
eurjchem-2675	150	5	physical	physical	ADJ
eurjchem-2675	150	6	features	feature	NOUN
eurjchem-2675	150	7	entropy	entropy	NOUN
eurjchem-2675	150	8	is	be	AUX
eurjchem-2675	150	9	a	a	DET
eurjchem-2675	150	10	crucial	crucial	ADJ
eurjchem-2675	150	11	and	and	CCONJ
eurjchem-2675	150	12	significant	significant	ADJ
eurjchem-2675	150	13	factor	factor	NOUN
eurjchem-2675	150	14	in	in	ADP
eurjchem-2675	150	15	the	the	DET
eurjchem-2675	150	16	fields	field	NOUN
eurjchem-2675	150	17	of	of	ADP
eurjchem-2675	150	18	physics	physics	NOUN
eurjchem-2675	150	19	,	,	PUNCT
eurjchem-2675	150	20	chemistry	chemistry	NOUN
eurjchem-2675	150	21	,	,	PUNCT
eurjchem-2675	150	22	and	and	CCONJ
eurjchem-2675	150	23	many	many	ADJ
eurjchem-2675	150	24	other	other	ADJ
eurjchem-2675	150	25	scientific	scientific	ADJ
eurjchem-2675	150	26	disciplines	discipline	NOUN
eurjchem-2675	150	27	that	that	PRON
eurjchem-2675	150	28	span	span	VERB
eurjchem-2675	150	29	different	different	ADJ
eurjchem-2675	150	30	fields	field	NOUN
eurjchem-2675	150	31	.	.	PUNCT
eurjchem-2675	151	1	based	base	VERB
eurjchem-2675	151	2	on	on	ADP
eurjchem-2675	151	3	thermodynamic	thermodynamic	ADJ
eurjchem-2675	151	4	principles	principle	NOUN
eurjchem-2675	151	5	,	,	PUNCT
eurjchem-2675	151	6	a	a	DET
eurjchem-2675	151	7	highly	highly	ADV
eurjchem-2675	151	8	organized	organize	VERB
eurjchem-2675	151	9	system	system	NOUN
eurjchem-2675	151	10	will	will	AUX
eurjchem-2675	151	11	have	have	VERB
eurjchem-2675	151	12	a	a	DET
eurjchem-2675	151	13	marginal	marginal	ADJ
eurjchem-2675	151	14	entropy	entropy	NOUN
eurjchem-2675	151	15	value	value	NOUN
eurjchem-2675	151	16	[	[	X
eurjchem-2675	151	17	37	37	NUM
eurjchem-2675	151	18	]	]	PUNCT
eurjchem-2675	151	19	.	.	PUNCT
eurjchem-2675	152	1	the	the	DET
eurjchem-2675	152	2	statistics	statistic	NOUN
eurjchem-2675	152	3	illustrated	illustrate	VERB
eurjchem-2675	152	4	in	in	ADP
eurjchem-2675	152	5	figures	figure	NOUN
eurjchem-2675	152	6	5a	5a	NUM
eurjchem-2675	152	7	-	-	SYM
eurjchem-2675	152	8	d	d	NOUN
eurjchem-2675	152	9	demonstrate	demonstrate	VERB
eurjchem-2675	152	10	that	that	SCONJ
eurjchem-2675	152	11	the	the	DET
eurjchem-2675	152	12	entropy	entropy	NOUN
eurjchem-2675	152	13	at	at	ADP
eurjchem-2675	152	14	1000	1000	NUM
eurjchem-2675	152	15	k	k	NOUN
eurjchem-2675	152	16	corresponds	correspond	VERB
eurjchem-2675	152	17	to	to	ADP
eurjchem-2675	152	18	a	a	DET
eurjchem-2675	152	19	value	value	NOUN
eurjchem-2675	152	20	of	of	ADP
eurjchem-2675	152	21	0.5	0.5	NUM
eurjchem-2675	152	22	ev	ev	NOUN
eurjchem-2675	152	23	.	.	PUNCT
eurjchem-2675	153	1	this	this	PRON
eurjchem-2675	153	2	suggests	suggest	VERB
eurjchem-2675	153	3	that	that	SCONJ
eurjchem-2675	153	4	behfo3	behfo3	NOUN
eurjchem-2675	153	5	may	may	AUX
eurjchem-2675	153	6	have	have	VERB
eurjchem-2675	153	7	a	a	DET
eurjchem-2675	153	8	reduced	reduce	VERB
eurjchem-2675	153	9	level	level	NOUN
eurjchem-2675	153	10	of	of	ADP
eurjchem-2675	153	11	instability	instability	NOUN
eurjchem-2675	153	12	or	or	CCONJ
eurjchem-2675	153	13	molecular	molecular	ADJ
eurjchem-2675	153	14	disturbances	disturbance	NOUN
eurjchem-2675	153	15	.	.	PUNCT
eurjchem-2675	154	1	excluding	exclude	VERB
eurjchem-2675	154	2	mechanical	mechanical	ADJ
eurjchem-2675	154	3	effort	effort	NOUN
eurjchem-2675	154	4	,	,	PUNCT
eurjchem-2675	154	5	the	the	DET
eurjchem-2675	154	6	interplay	interplay	NOUN
eurjchem-2675	154	7	of	of	ADP
eurjchem-2675	154	8	thermal	thermal	ADJ
eurjchem-2675	154	9	energy	energy	NOUN
eurjchem-2675	154	10	and	and	CCONJ
eurjchem-2675	154	11	the	the	DET
eurjchem-2675	154	12	environment	environment	NOUN
eurjchem-2675	154	13	,	,	PUNCT
eurjchem-2675	154	14	elucidated	elucidate	VERB
eurjchem-2675	154	15	by	by	ADP
eurjchem-2675	154	16	enthalpy	enthalpy	NOUN
eurjchem-2675	154	17	[	[	X
eurjchem-2675	154	18	38	38	NUM
eurjchem-2675	154	19	]	]	PUNCT
eurjchem-2675	154	20	,	,	PUNCT
eurjchem-2675	154	21	ranging	range	VERB
eurjchem-2675	154	22	from	from	ADP
eurjchem-2675	154	23	0.01	0.01	NUM
eurjchem-2675	154	24	to	to	PART
eurjchem-2675	154	25	0.45	0.45	NUM
eurjchem-2675	154	26	ev	ev	NOUN
eurjchem-2675	154	27	at	at	ADP
eurjchem-2675	154	28	temperatures	temperature	NOUN
eurjchem-2675	154	29	between	between	ADP
eurjchem-2675	154	30	200	200	NUM
eurjchem-2675	154	31	and	and	CCONJ
eurjchem-2675	154	32	1000	1000	NUM
eurjchem-2675	154	33	k	k	NOUN
eurjchem-2675	154	34	,	,	PUNCT
eurjchem-2675	154	35	is	be	AUX
eurjchem-2675	154	36	illustrated	illustrate	VERB
eurjchem-2675	154	37	in	in	ADP
eurjchem-2675	154	38	figures	figure	NOUN
eurjchem-2675	154	39	5a	5a	NUM
eurjchem-2675	154	40	-	-	NOUN
eurjchem-2675	154	41	d.	d.	NOUN
eurjchem-2675	154	42	the	the	DET
eurjchem-2675	154	43	variability	variability	NOUN
eurjchem-2675	154	44	in	in	ADP
eurjchem-2675	154	45	free	free	ADJ
eurjchem-2675	154	46	energy	energy	NOUN
eurjchem-2675	154	47	determines	determine	VERB
eurjchem-2675	154	48	the	the	DET
eurjchem-2675	154	49	transformation	transformation	NOUN
eurjchem-2675	154	50	pathway	pathway	NOUN
eurjchem-2675	154	51	and	and	CCONJ
eurjchem-2675	154	52	the	the	DET
eurjchem-2675	154	53	maximum	maximum	ADJ
eurjchem-2675	154	54	effort	effort	NOUN
eurjchem-2675	154	55	achievable	achievable	ADJ
eurjchem-2675	154	56	in	in	ADP
eurjchem-2675	154	57	thermal	thermal	ADJ
eurjchem-2675	154	58	processes	process	NOUN
eurjchem-2675	154	59	,	,	PUNCT
eurjchem-2675	154	60	such	such	ADJ
eurjchem-2675	154	61	as	as	ADP
eurjchem-2675	154	62	chemical	chemical	ADJ
eurjchem-2675	154	63	reactions	reaction	NOUN
eurjchem-2675	154	64	[	[	X
eurjchem-2675	154	65	39	39	NUM
eurjchem-2675	154	66	]	]	PUNCT
eurjchem-2675	154	67	.	.	PUNCT
eurjchem-2675	155	1	our	our	PRON
eurjchem-2675	155	2	empirical	empirical	ADJ
eurjchem-2675	155	3	findings	finding	NOUN
eurjchem-2675	155	4	indicate	indicate	VERB
eurjchem-2675	155	5	that	that	SCONJ
eurjchem-2675	155	6	the	the	DET
eurjchem-2675	155	7	free	free	ADJ
eurjchem-2675	155	8	energy	energy	NOUN
eurjchem-2675	155	9	of	of	ADP
eurjchem-2675	155	10	the	the	DET
eurjchem-2675	155	11	behfo3	behfo3	NOUN
eurjchem-2675	155	12	crystal	crystal	PROPN
eurjchem-2675	155	13	starts	start	VERB
eurjchem-2675	155	14	at	at	ADP
eurjchem-2675	155	15	0.02	0.02	NUM
eurjchem-2675	155	16	ev	ev	NOUN
eurjchem-2675	155	17	at	at	ADP
eurjchem-2675	155	18	190	190	NUM
eurjchem-2675	155	19	k	k	NOUN
eurjchem-2675	155	20	and	and	CCONJ
eurjchem-2675	155	21	increases	increase	VERB
eurjchem-2675	155	22	steadily	steadily	ADV
eurjchem-2675	155	23	to	to	ADP
eurjchem-2675	155	24	0.40	0.40	NUM
eurjchem-2675	155	25	ev	ev	NOUN
eurjchem-2675	155	26	at	at	ADP
eurjchem-2675	155	27	1000	1000	NUM
eurjchem-2675	155	28	k	k	NOUN
eurjchem-2675	155	29	,	,	PUNCT
eurjchem-2675	155	30	as	as	SCONJ
eurjchem-2675	155	31	shown	show	VERB
eurjchem-2675	155	32	in	in	ADP
eurjchem-2675	155	33	figures	figure	NOUN
eurjchem-2675	155	34	5a	5a	NUM
eurjchem-2675	155	35	-	-	ADJ
eurjchem-2675	155	36	d.	d.	ADJ
eurjchem-2675	155	37	heat	heat	NOUN
eurjchem-2675	155	38	capacity	capacity	NOUN
eurjchem-2675	155	39	measures	measure	VERB
eurjchem-2675	155	40	the	the	DET
eurjchem-2675	155	41	amount	amount	NOUN
eurjchem-2675	155	42	of	of	ADP
eurjchem-2675	155	43	warmth	warmth	NOUN
eurjchem-2675	155	44	required	require	VERB
eurjchem-2675	155	45	to	to	PART
eurjchem-2675	155	46	change	change	VERB
eurjchem-2675	155	47	the	the	DET
eurjchem-2675	155	48	temperature	temperature	NOUN
eurjchem-2675	155	49	of	of	ADP
eurjchem-2675	155	50	a	a	DET
eurjchem-2675	155	51	material	material	NOUN
eurjchem-2675	155	52	,	,	PUNCT
eurjchem-2675	155	53	reflecting	reflect	VERB
eurjchem-2675	155	54	its	its	PRON
eurjchem-2675	155	55	ability	ability	NOUN
eurjchem-2675	155	56	to	to	PART
eurjchem-2675	155	57	absorb	absorb	VERB
eurjchem-2675	155	58	or	or	CCONJ
eurjchem-2675	155	59	release	release	VERB
eurjchem-2675	155	60	energy	energy	NOUN
eurjchem-2675	155	61	.	.	PUNCT
eurjchem-2675	156	1	figure	figure	VERB
eurjchem-2675	156	2	s5a	s5a	NOUN
eurjchem-2675	156	3	-	-	PUNCT
eurjchem-2675	156	4	d	d	X
eurjchem-2675	156	5	(	(	PUNCT
eurjchem-2675	156	6	esi	esi	NOUN
eurjchem-2675	156	7	)	)	PUNCT
eurjchem-2675	156	8	demonstrates	demonstrate	VERB
eurjchem-2675	156	9	that	that	SCONJ
eurjchem-2675	156	10	behfo3	behfo3	NOUN
eurjchem-2675	156	11	attains	attain	VERB
eurjchem-2675	156	12	its	its	PRON
eurjchem-2675	156	13	maximum	maximum	ADJ
eurjchem-2675	156	14	heat	heat	NOUN
eurjchem-2675	156	15	capacity	capacity	NOUN
eurjchem-2675	156	16	at	at	ADP
eurjchem-2675	156	17	1000	1000	NUM
eurjchem-2675	156	18	k	k	NOUN
eurjchem-2675	156	19	,	,	PUNCT
eurjchem-2675	156	20	showcasing	showcase	VERB
eurjchem-2675	156	21	varying	vary	VERB
eurjchem-2675	156	22	energy	energy	NOUN
eurjchem-2675	156	23	levels	level	NOUN
eurjchem-2675	156	24	evaluated	evaluate	VERB
eurjchem-2675	156	25	using	use	VERB
eurjchem-2675	156	26	different	different	ADJ
eurjchem-2675	156	27	methodologies	methodology	NOUN
eurjchem-2675	156	28	.	.	PUNCT
eurjchem-2675	157	1	3.5	3.5	NUM
eurjchem-2675	157	2	.	.	PUNCT
eurjchem-2675	157	3	optical	optical	ADJ
eurjchem-2675	157	4	properties	property	NOUN
eurjchem-2675	157	5	a	a	DET
eurjchem-2675	157	6	magnitude	magnitude	NOUN
eurjchem-2675	157	7	of	of	ADP
eurjchem-2675	157	8	0.1	0.1	NUM
eurjchem-2675	157	9	ev	ev	ADP
eurjchem-2675	157	10	gaussian	gaussian	ADJ
eurjchem-2675	157	11	smearing	smearing	NOUN
eurjchem-2675	157	12	has	have	AUX
eurjchem-2675	157	13	been	be	AUX
eurjchem-2675	157	14	used	use	VERB
eurjchem-2675	157	15	across	across	ADP
eurjchem-2675	157	16	all	all	DET
eurjchem-2675	157	17	computational	computational	ADJ
eurjchem-2675	157	18	approaches	approach	NOUN
eurjchem-2675	157	19	to	to	PART
eurjchem-2675	157	20	explore	explore	VERB
eurjchem-2675	157	21	the	the	DET
eurjchem-2675	157	22	optical	optical	ADJ
eurjchem-2675	157	23	characteristics	characteristic	NOUN
eurjchem-2675	157	24	of	of	ADP
eurjchem-2675	157	25	the	the	PRON
eurjchem-2675	157	26	behfo3	behfo3	NOUN
eurjchem-2675	158	1	[	[	X
eurjchem-2675	158	2	40	40	NUM
eurjchem-2675	158	3	]	]	PUNCT
eurjchem-2675	158	4	.	.	PUNCT
eurjchem-2675	159	1	a	a	DET
eurjchem-2675	159	2	material	material	NOUN
eurjchem-2675	159	3	's	's	PART
eurjchem-2675	159	4	reflectivityits	reflectivityit	NOUN
eurjchem-2675	159	5	capacity	capacity	NOUN
eurjchem-2675	159	6	to	to	PART
eurjchem-2675	159	7	return	return	VERB
eurjchem-2675	159	8	energy	energy	NOUN
eurjchem-2675	159	9	or	or	CCONJ
eurjchem-2675	159	10	light	light	NOUN
eurjchem-2675	159	11	to	to	ADP
eurjchem-2675	159	12	its	its	PRON
eurjchem-2675	159	13	sourceis	sourceis	NOUN
eurjchem-2675	159	14	fundamental	fundamental	ADJ
eurjchem-2675	159	15	for	for	ADP
eurjchem-2675	159	16	comprehending	comprehend	VERB
eurjchem-2675	159	17	its	its	PRON
eurjchem-2675	159	18	opacity	opacity	NOUN
eurjchem-2675	159	19	,	,	PUNCT
eurjchem-2675	159	20	translucency	translucency	NOUN
eurjchem-2675	159	21	,	,	PUNCT
eurjchem-2675	159	22	or	or	CCONJ
eurjchem-2675	159	23	transparency	transparency	NOUN
eurjchem-2675	160	1	[	[	X
eurjchem-2675	160	2	41	41	NUM
eurjchem-2675	160	3	]	]	PUNCT
eurjchem-2675	160	4	.	.	PUNCT
eurjchem-2675	161	1	a	a	DET
eurjchem-2675	161	2	notable	notable	ADJ
eurjchem-2675	161	3	increase	increase	NOUN
eurjchem-2675	161	4	in	in	ADP
eurjchem-2675	161	5	reflectance	reflectance	NOUN
eurjchem-2675	161	6	from	from	ADP
eurjchem-2675	161	7	0.23	0.23	NUM
eurjchem-2675	161	8	ev	ev	NOUN
eurjchem-2675	161	9	to	to	ADP
eurjchem-2675	161	10	30	30	NUM
eurjchem-2675	161	11	ev	ev	INTJ
eurjchem-2675	161	12	for	for	ADP
eurjchem-2675	161	13	behfo3	behfo3	NOUN
eurjchem-2675	161	14	is	be	AUX
eurjchem-2675	161	15	demonstrated	demonstrate	VERB
eurjchem-2675	161	16	by	by	ADP
eurjchem-2675	161	17	the	the	DET
eurjchem-2675	161	18	results	result	NOUN
eurjchem-2675	161	19	0.85	0.85	NUM
eurjchem-2675	161	20	,	,	PUNCT
eurjchem-2675	161	21	0.88	0.88	NUM
eurjchem-2675	161	22	,	,	PUNCT
eurjchem-2675	161	23	0.82	0.82	NUM
eurjchem-2675	161	24	,	,	PUNCT
eurjchem-2675	161	25	0.85	0.85	NUM
eurjchem-2675	161	26	,	,	PUNCT
eurjchem-2675	161	27	and	and	CCONJ
eurjchem-2675	161	28	0.75	0.75	NUM
eurjchem-2675	161	29	ev	ev	NOUN
eurjchem-2675	161	30	showed	show	VERB
eurjchem-2675	161	31	significant	significant	ADJ
eurjchem-2675	161	32	amounts	amount	NOUN
eurjchem-2675	161	33	of	of	ADP
eurjchem-2675	161	34	reflection	reflection	NOUN
eurjchem-2675	161	35	in	in	ADP
eurjchem-2675	161	36	different	different	ADJ
eurjchem-2675	161	37	methods	method	NOUN
eurjchem-2675	161	38	shown	show	VERB
eurjchem-2675	161	39	in	in	ADP
eurjchem-2675	161	40	figure	figure	NOUN
eurjchem-2675	161	41	6a	6a	NOUN
eurjchem-2675	161	42	.	.	PUNCT
eurjchem-2675	162	1	an	an	DET
eurjchem-2675	162	2	important	important	ADJ
eurjchem-2675	162	3	optical	optical	ADJ
eurjchem-2675	162	4	feature	feature	NOUN
eurjchem-2675	162	5	,	,	PUNCT
eurjchem-2675	162	6	the	the	DET
eurjchem-2675	162	7	energy	energy	NOUN
eurjchem-2675	162	8	loss	loss	NOUN
eurjchem-2675	162	9	function	function	NOUN
eurjchem-2675	162	10	affects	affect	VERB
eurjchem-2675	162	11	optoelectronic	optoelectronic	ADJ
eurjchem-2675	162	12	efficiency	efficiency	NOUN
eurjchem-2675	162	13	throughout	throughout	ADP
eurjchem-2675	162	14	both	both	CCONJ
eurjchem-2675	162	15	the	the	DET
eurjchem-2675	162	16	low	low	ADJ
eurjchem-2675	162	17	and	and	CCONJ
eurjchem-2675	162	18	high	high	ADJ
eurjchem-2675	162	19	photon	photon	NOUN
eurjchem-2675	162	20	energy	energy	NOUN
eurjchem-2675	162	21	ranges	range	VERB
eurjchem-2675	162	22	[	[	X
eurjchem-2675	162	23	42	42	NUM
eurjchem-2675	162	24	]	]	PUNCT
eurjchem-2675	162	25	.	.	PUNCT
eurjchem-2675	163	1	according	accord	VERB
eurjchem-2675	163	2	to	to	ADP
eurjchem-2675	163	3	figure	figure	NOUN
eurjchem-2675	163	4	6b	6b	NOUN
eurjchem-2675	163	5	,	,	PUNCT
eurjchem-2675	163	6	the	the	DET
eurjchem-2675	163	7	lda	lda	PROPN
eurjchem-2675	163	8	technique	technique	NOUN
eurjchem-2675	163	9	results	result	NOUN
eurjchem-2675	163	10	in	in	ADP
eurjchem-2675	163	11	the	the	DET
eurjchem-2675	163	12	largest	large	ADJ
eurjchem-2675	163	13	energy	energy	NOUN
eurjchem-2675	163	14	loss	loss	NOUN
eurjchem-2675	163	15	for	for	ADP
eurjchem-2675	163	16	behfo3	behfo3	NOUN
eurjchem-2675	163	17	,	,	PUNCT
eurjchem-2675	163	18	whereas	whereas	SCONJ
eurjchem-2675	163	19	pbesol	pbesol	ADJ
eurjchem-2675	163	20	yields	yield	NOUN
eurjchem-2675	163	21	the	the	DET
eurjchem-2675	163	22	least	least	ADJ
eurjchem-2675	163	23	.	.	PUNCT
eurjchem-2675	164	1	choosing	choose	VERB
eurjchem-2675	164	2	298	298	NUM
eurjchem-2675	164	3	al	al	PROPN
eurjchem-2675	164	4	masud	masud	PROPN
eurjchem-2675	164	5	et	et	PROPN
eurjchem-2675	165	1	al	al	PROPN
eurjchem-2675	165	2	.	.	PUNCT
eurjchem-2675	165	3	/	/	SYM
eurjchem-2675	165	4	european	european	PROPN
eurjchem-2675	165	5	journal	journal	PROPN
eurjchem-2675	165	6	of	of	ADP
eurjchem-2675	165	7	chemistry	chemistry	NOUN
eurjchem-2675	165	8	16	16	NUM
eurjchem-2675	165	9	(	(	PUNCT
eurjchem-2675	165	10	3	3	NUM
eurjchem-2675	165	11	)	)	PUNCT
eurjchem-2675	165	12	(	(	PUNCT
eurjchem-2675	165	13	2025	2025	NUM
eurjchem-2675	165	14	)	)	PUNCT
eurjchem-2675	165	15	292	292	NUM
eurjchem-2675	165	16	-	-	SYM
eurjchem-2675	165	17	301	301	NUM
eurjchem-2675	165	18	2025	2025	NUM
eurjchem-2675	165	19	–	–	PUNCT
eurjchem-2675	165	20	european	european	ADJ
eurjchem-2675	165	21	journal	journal	NOUN
eurjchem-2675	165	22	of	of	ADP
eurjchem-2675	165	23	chemistry	chemistry	NOUN
eurjchem-2675	165	24	–	–	PUNCT
eurjchem-2675	165	25	cc	cc	NOUN
eurjchem-2675	165	26	by	by	ADP
eurjchem-2675	165	27	nc	nc	PROPN
eurjchem-2675	165	28	–	–	PUNCT
eurjchem-2675	165	29	doi	doi	NOUN
eurjchem-2675	165	30	:	:	PUNCT
eurjchem-2675	165	31	10.5155	10.5155	NUM
eurjchem-2675	165	32	/	/	SYM
eurjchem-2675	165	33	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	165	34	-	-	SYM
eurjchem-2675	165	35	301.2675	301.2675	NUM
eurjchem-2675	165	36	figure	figure	NOUN
eurjchem-2675	165	37	7	7	NUM
eurjchem-2675	165	38	.	.	PUNCT
eurjchem-2675	166	1	(	(	PUNCT
eurjchem-2675	166	2	a	a	X
eurjchem-2675	166	3	)	)	PUNCT
eurjchem-2675	166	4	refraction	refraction	NOUN
eurjchem-2675	166	5	index	index	NOUN
eurjchem-2675	166	6	and	and	CCONJ
eurjchem-2675	166	7	(	(	PUNCT
eurjchem-2675	166	8	b	b	NOUN
eurjchem-2675	166	9	)	)	PUNCT
eurjchem-2675	166	10	absorption	absorption	NOUN
eurjchem-2675	166	11	curve	curve	NOUN
eurjchem-2675	166	12	of	of	ADP
eurjchem-2675	166	13	the	the	DET
eurjchem-2675	166	14	behfo3	behfo3	NOUN
eurjchem-2675	166	15	crystal	crystal	PROPN
eurjchem-2675	166	16	.	.	PUNCT
eurjchem-2675	167	1	figure	figure	NOUN
eurjchem-2675	167	2	8	8	NUM
eurjchem-2675	167	3	.	.	PUNCT
eurjchem-2675	168	1	wavelength	wavelength	NOUN
eurjchem-2675	168	2	-	-	PUNCT
eurjchem-2675	168	3	dependent	dependent	ADJ
eurjchem-2675	168	4	absorption	absorption	NOUN
eurjchem-2675	168	5	curve	curve	NOUN
eurjchem-2675	168	6	of	of	ADP
eurjchem-2675	168	7	behfo3	behfo3	NOUN
eurjchem-2675	168	8	crystal	crystal	PROPN
eurjchem-2675	168	9	in	in	ADP
eurjchem-2675	168	10	(	(	PUNCT
eurjchem-2675	168	11	a	a	X
eurjchem-2675	168	12	)	)	PUNCT
eurjchem-2675	168	13	pbe	pbe	PROPN
eurjchem-2675	168	14	,	,	PUNCT
eurjchem-2675	168	15	(	(	PUNCT
eurjchem-2675	168	16	b	b	NOUN
eurjchem-2675	168	17	)	)	PUNCT
eurjchem-2675	168	18	rpbe	rpbe	NOUN
eurjchem-2675	168	19	,	,	PUNCT
eurjchem-2675	168	20	(	(	PUNCT
eurjchem-2675	168	21	c	c	NOUN
eurjchem-2675	168	22	)	)	PUNCT
eurjchem-2675	168	23	pbesol	pbesol	NOUN
eurjchem-2675	168	24	,	,	PUNCT
eurjchem-2675	168	25	and	and	CCONJ
eurjchem-2675	168	26	(	(	PUNCT
eurjchem-2675	168	27	d	d	X
eurjchem-2675	168	28	)	)	PUNCT
eurjchem-2675	168	29	lda	lda	PROPN
eurjchem-2675	168	30	methods	method	NOUN
eurjchem-2675	168	31	.	.	PUNCT
eurjchem-2675	169	1	computational	computational	ADJ
eurjchem-2675	169	2	methods	method	NOUN
eurjchem-2675	169	3	to	to	PART
eurjchem-2675	169	4	reliably	reliably	ADV
eurjchem-2675	169	5	forecast	forecast	VERB
eurjchem-2675	169	6	the	the	DET
eurjchem-2675	169	7	optical	optical	ADJ
eurjchem-2675	169	8	characteristics	characteristic	NOUN
eurjchem-2675	169	9	of	of	ADP
eurjchem-2675	169	10	behfo3	behfo3	NOUN
eurjchem-2675	169	11	requires	require	VERB
eurjchem-2675	169	12	this	this	DET
eurjchem-2675	169	13	understanding	understanding	NOUN
eurjchem-2675	169	14	.	.	PUNCT
eurjchem-2675	170	1	the	the	DET
eurjchem-2675	170	2	capacity	capacity	NOUN
eurjchem-2675	170	3	of	of	ADP
eurjchem-2675	170	4	a	a	DET
eurjchem-2675	170	5	substance	substance	NOUN
eurjchem-2675	170	6	to	to	PART
eurjchem-2675	170	7	carry	carry	VERB
eurjchem-2675	170	8	light	light	NOUN
eurjchem-2675	170	9	is	be	AUX
eurjchem-2675	170	10	measured	measure	VERB
eurjchem-2675	170	11	by	by	ADP
eurjchem-2675	170	12	its	its	PRON
eurjchem-2675	170	13	optical	optical	ADJ
eurjchem-2675	170	14	conductivity	conductivity	NOUN
eurjchem-2675	170	15	[	[	X
eurjchem-2675	170	16	43	43	NUM
eurjchem-2675	170	17	]	]	PUNCT
eurjchem-2675	170	18	.	.	PUNCT
eurjchem-2675	171	1	the	the	DET
eurjchem-2675	171	2	actual	actual	ADJ
eurjchem-2675	171	3	component	component	NOUN
eurjchem-2675	171	4	of	of	ADP
eurjchem-2675	171	5	behfo3	behfo3	NOUN
eurjchem-2675	171	6	is	be	AUX
eurjchem-2675	171	7	visible	visible	ADJ
eurjchem-2675	171	8	in	in	ADP
eurjchem-2675	171	9	figure	figure	NOUN
eurjchem-2675	171	10	s6a	s6a	PROPN
eurjchem-2675	171	11	(	(	PUNCT
eurjchem-2675	171	12	esi	esi	NOUN
eurjchem-2675	171	13	)	)	PUNCT
eurjchem-2675	171	14	and	and	CCONJ
eurjchem-2675	171	15	is	be	AUX
eurjchem-2675	171	16	dominant	dominant	ADJ
eurjchem-2675	171	17	up	up	ADP
eurjchem-2675	171	18	to	to	ADP
eurjchem-2675	171	19	11.0	11.0	NUM
eurjchem-2675	171	20	ev	ev	NOUN
eurjchem-2675	171	21	,	,	PUNCT
eurjchem-2675	171	22	after	after	ADP
eurjchem-2675	171	23	which	which	PRON
eurjchem-2675	171	24	it	it	PRON
eurjchem-2675	171	25	steadily	steadily	ADV
eurjchem-2675	171	26	drops	drop	VERB
eurjchem-2675	171	27	by	by	ADP
eurjchem-2675	171	28	30	30	NUM
eurjchem-2675	171	29	ev	ev	NOUN
eurjchem-2675	171	30	.	.	PUNCT
eurjchem-2675	172	1	the	the	DET
eurjchem-2675	172	2	energy	energy	NOUN
eurjchem-2675	172	3	absorption	absorption	NOUN
eurjchem-2675	172	4	through	through	ADP
eurjchem-2675	172	5	electron	electron	NOUN
eurjchem-2675	172	6	-	-	PUNCT
eurjchem-2675	172	7	material	material	NOUN
eurjchem-2675	172	8	contacts	contact	NOUN
eurjchem-2675	172	9	is	be	AUX
eurjchem-2675	172	10	shown	show	VERB
eurjchem-2675	172	11	by	by	ADP
eurjchem-2675	172	12	the	the	DET
eurjchem-2675	172	13	fictitious	fictitious	ADJ
eurjchem-2675	172	14	part	part	NOUN
eurjchem-2675	172	15	being	be	AUX
eurjchem-2675	172	16	greater	great	ADJ
eurjchem-2675	172	17	than	than	ADP
eurjchem-2675	172	18	the	the	DET
eurjchem-2675	172	19	real	real	ADJ
eurjchem-2675	172	20	component	component	NOUN
eurjchem-2675	172	21	after	after	ADP
eurjchem-2675	172	22	11.0	11.0	NUM
eurjchem-2675	172	23	ev	ev	X
eurjchem-2675	172	24	.	.	PUNCT
eurjchem-2675	173	1	an	an	DET
eurjchem-2675	173	2	essential	essential	ADJ
eurjchem-2675	173	3	step	step	NOUN
eurjchem-2675	173	4	in	in	ADP
eurjchem-2675	173	5	comprehending	comprehend	VERB
eurjchem-2675	173	6	and	and	CCONJ
eurjchem-2675	173	7	creating	create	VERB
eurjchem-2675	173	8	optically	optically	ADV
eurjchem-2675	173	9	customized	customize	VERB
eurjchem-2675	173	10	materials	material	NOUN
eurjchem-2675	173	11	is	be	AUX
eurjchem-2675	173	12	the	the	DET
eurjchem-2675	173	13	estimation	estimation	NOUN
eurjchem-2675	173	14	of	of	ADP
eurjchem-2675	173	15	electric	electric	ADJ
eurjchem-2675	173	16	dipoles	dipole	NOUN
eurjchem-2675	173	17	,	,	PUNCT
eurjchem-2675	173	18	which	which	PRON
eurjchem-2675	173	19	are	be	AUX
eurjchem-2675	173	20	dielectric	dielectric	ADJ
eurjchem-2675	173	21	functions	function	NOUN
eurjchem-2675	173	22	[	[	X
eurjchem-2675	173	23	44	44	NUM
eurjchem-2675	173	24	]	]	PUNCT
eurjchem-2675	173	25	.	.	PUNCT
eurjchem-2675	174	1	from	from	ADP
eurjchem-2675	174	2	0	0	NUM
eurjchem-2675	174	3	to	to	ADP
eurjchem-2675	174	4	5.0	5.0	NUM
eurjchem-2675	174	5	ev	ev	NOUN
eurjchem-2675	174	6	,	,	PUNCT
eurjchem-2675	174	7	the	the	DET
eurjchem-2675	174	8	real	real	ADJ
eurjchem-2675	174	9	component	component	NOUN
eurjchem-2675	174	10	of	of	ADP
eurjchem-2675	174	11	behfo3	behfo3	NOUN
eurjchem-2675	174	12	is	be	AUX
eurjchem-2675	174	13	greater	great	ADJ
eurjchem-2675	174	14	than	than	ADP
eurjchem-2675	174	15	the	the	DET
eurjchem-2675	174	16	imaginary	imaginary	ADJ
eurjchem-2675	174	17	component	component	NOUN
eurjchem-2675	174	18	,	,	PUNCT
eurjchem-2675	174	19	as	as	SCONJ
eurjchem-2675	174	20	shown	show	VERB
eurjchem-2675	174	21	in	in	ADP
eurjchem-2675	174	22	figure	figure	NOUN
eurjchem-2675	174	23	s6b	s6b	PROPN
eurjchem-2675	174	24	(	(	PUNCT
eurjchem-2675	174	25	esi	esi	PROPN
eurjchem-2675	174	26	)	)	PUNCT
eurjchem-2675	174	27	.	.	PUNCT
eurjchem-2675	175	1	however	however	ADV
eurjchem-2675	175	2	,	,	PUNCT
eurjchem-2675	175	3	as	as	SCONJ
eurjchem-2675	175	4	the	the	DET
eurjchem-2675	175	5	energy	energy	NOUN
eurjchem-2675	175	6	approaches	approach	VERB
eurjchem-2675	175	7	30.0	30.0	NUM
eurjchem-2675	175	8	ev	ev	NOUN
eurjchem-2675	175	9	,	,	PUNCT
eurjchem-2675	175	10	the	the	DET
eurjchem-2675	175	11	real	real	ADJ
eurjchem-2675	175	12	component	component	NOUN
eurjchem-2675	175	13	diminishes	diminish	VERB
eurjchem-2675	175	14	.	.	PUNCT
eurjchem-2675	176	1	in	in	ADP
eurjchem-2675	176	2	the	the	DET
eurjchem-2675	176	3	range	range	NOUN
eurjchem-2675	176	4	of	of	ADP
eurjchem-2675	176	5	5.0	5.0	NUM
eurjchem-2675	176	6	to	to	PART
eurjchem-2675	176	7	30.0	30.0	NUM
eurjchem-2675	176	8	ev	ev	NOUN
eurjchem-2675	176	9	,	,	PUNCT
eurjchem-2675	176	10	the	the	DET
eurjchem-2675	176	11	imaginary	imaginary	ADJ
eurjchem-2675	176	12	part	part	NOUN
eurjchem-2675	176	13	is	be	AUX
eurjchem-2675	176	14	larger	large	ADJ
eurjchem-2675	176	15	than	than	ADP
eurjchem-2675	176	16	the	the	DET
eurjchem-2675	176	17	actual	actual	ADJ
eurjchem-2675	176	18	part	part	NOUN
eurjchem-2675	176	19	.	.	PUNCT
eurjchem-2675	177	1	the	the	DET
eurjchem-2675	177	2	dielectric	dielectric	ADJ
eurjchem-2675	177	3	response	response	NOUN
eurjchem-2675	177	4	of	of	ADP
eurjchem-2675	177	5	behfo3	behfo3	NOUN
eurjchem-2675	177	6	perovskite	perovskite	NOUN
eurjchem-2675	177	7	is	be	AUX
eurjchem-2675	177	8	comparatively	comparatively	ADV
eurjchem-2675	177	9	elevated	elevate	VERB
eurjchem-2675	177	10	in	in	ADP
eurjchem-2675	177	11	relation	relation	NOUN
eurjchem-2675	177	12	to	to	ADP
eurjchem-2675	177	13	several	several	ADJ
eurjchem-2675	177	14	established	establish	VERB
eurjchem-2675	177	15	halide	halide	NOUN
eurjchem-2675	177	16	perovskites	perovskite	NOUN
eurjchem-2675	177	17	.	.	PUNCT
eurjchem-2675	178	1	an	an	DET
eurjchem-2675	178	2	elevated	elevated	ADJ
eurjchem-2675	178	3	dielectric	dielectric	ADJ
eurjchem-2675	178	4	constant	constant	ADJ
eurjchem-2675	178	5	is	be	AUX
eurjchem-2675	178	6	beneficial	beneficial	ADJ
eurjchem-2675	178	7	,	,	PUNCT
eurjchem-2675	178	8	since	since	SCONJ
eurjchem-2675	178	9	it	it	PRON
eurjchem-2675	178	10	improves	improve	VERB
eurjchem-2675	178	11	charge	charge	NOUN
eurjchem-2675	178	12	carrier	carrier	NOUN
eurjchem-2675	178	13	screening	screening	NOUN
eurjchem-2675	178	14	,	,	PUNCT
eurjchem-2675	178	15	diminishes	diminish	VERB
eurjchem-2675	178	16	exciton	exciton	NOUN
eurjchem-2675	178	17	binding	bind	VERB
eurjchem-2675	178	18	energy	energy	NOUN
eurjchem-2675	178	19	,	,	PUNCT
eurjchem-2675	178	20	and	and	CCONJ
eurjchem-2675	178	21	promotes	promote	VERB
eurjchem-2675	178	22	effective	effective	ADJ
eurjchem-2675	178	23	charge	charge	NOUN
eurjchem-2675	178	24	separation	separation	NOUN
eurjchem-2675	178	25	essential	essential	ADJ
eurjchem-2675	178	26	elements	element	NOUN
eurjchem-2675	178	27	for	for	ADP
eurjchem-2675	178	28	enhancing	enhance	VERB
eurjchem-2675	178	29	the	the	DET
eurjchem-2675	178	30	performance	performance	NOUN
eurjchem-2675	178	31	of	of	ADP
eurjchem-2675	178	32	optoelectronic	optoelectronic	ADJ
eurjchem-2675	178	33	devices	device	NOUN
eurjchem-2675	178	34	,	,	PUNCT
eurjchem-2675	178	35	including	include	VERB
eurjchem-2675	178	36	solar	solar	ADJ
eurjchem-2675	178	37	cells	cell	NOUN
eurjchem-2675	178	38	,	,	PUNCT
eurjchem-2675	178	39	photodetectors	photodetector	NOUN
eurjchem-2675	178	40	,	,	PUNCT
eurjchem-2675	178	41	and	and	CCONJ
eurjchem-2675	178	42	light	light	ADJ
eurjchem-2675	178	43	-	-	PUNCT
eurjchem-2675	178	44	emitting	emit	VERB
eurjchem-2675	178	45	diodes	diode	NOUN
eurjchem-2675	178	46	.	.	PUNCT
eurjchem-2675	179	1	in	in	ADP
eurjchem-2675	179	2	contrast	contrast	NOUN
eurjchem-2675	179	3	to	to	ADP
eurjchem-2675	179	4	some	some	DET
eurjchem-2675	179	5	halide	halide	NOUN
eurjchem-2675	179	6	perovskites	perovskite	NOUN
eurjchem-2675	179	7	that	that	PRON
eurjchem-2675	179	8	exhibit	exhibit	VERB
eurjchem-2675	179	9	environmental	environmental	ADJ
eurjchem-2675	179	10	instability	instability	NOUN
eurjchem-2675	179	11	and	and	CCONJ
eurjchem-2675	179	12	lead	lead	NOUN
eurjchem-2675	179	13	toxicity	toxicity	NOUN
eurjchem-2675	179	14	,	,	PUNCT
eurjchem-2675	179	15	behfo3	behfo3	NOUN
eurjchem-2675	179	16	presents	present	VERB
eurjchem-2675	179	17	a	a	DET
eurjchem-2675	179	18	potentially	potentially	ADV
eurjchem-2675	179	19	more	more	ADV
eurjchem-2675	179	20	stable	stable	ADJ
eurjchem-2675	179	21	and	and	CCONJ
eurjchem-2675	179	22	nontoxic	nontoxic	ADJ
eurjchem-2675	179	23	alternative	alternative	NOUN
eurjchem-2675	179	24	with	with	ADP
eurjchem-2675	179	25	an	an	DET
eurjchem-2675	179	26	advantageous	advantageous	ADJ
eurjchem-2675	179	27	dielectric	dielectric	ADJ
eurjchem-2675	179	28	profile	profile	NOUN
eurjchem-2675	179	29	,	,	PUNCT
eurjchem-2675	179	30	rendering	render	VERB
eurjchem-2675	179	31	it	it	PRON
eurjchem-2675	179	32	a	a	DET
eurjchem-2675	179	33	promising	promising	ADJ
eurjchem-2675	179	34	material	material	NOUN
eurjchem-2675	179	35	for	for	ADP
eurjchem-2675	179	36	practical	practical	ADJ
eurjchem-2675	179	37	and	and	CCONJ
eurjchem-2675	179	38	enduring	endure	VERB
eurjchem-2675	179	39	optoelectronic	optoelectronic	ADJ
eurjchem-2675	179	40	applications	application	NOUN
eurjchem-2675	179	41	.	.	PUNCT
eurjchem-2675	180	1	the	the	DET
eurjchem-2675	180	2	refractive	refractive	ADJ
eurjchem-2675	180	3	index	index	NOUN
eurjchem-2675	180	4	plays	play	VERB
eurjchem-2675	180	5	a	a	DET
eurjchem-2675	180	6	vital	vital	ADJ
eurjchem-2675	180	7	role	role	NOUN
eurjchem-2675	180	8	in	in	ADP
eurjchem-2675	180	9	optics	optic	NOUN
eurjchem-2675	180	10	,	,	PUNCT
eurjchem-2675	180	11	indicating	indicate	VERB
eurjchem-2675	180	12	the	the	DET
eurjchem-2675	180	13	interaction	interaction	NOUN
eurjchem-2675	180	14	of	of	ADP
eurjchem-2675	180	15	light	light	NOUN
eurjchem-2675	180	16	with	with	ADP
eurjchem-2675	180	17	various	various	ADJ
eurjchem-2675	180	18	materials	material	NOUN
eurjchem-2675	180	19	[	[	X
eurjchem-2675	180	20	45	45	NUM
eurjchem-2675	180	21	]	]	PUNCT
eurjchem-2675	180	22	.	.	PUNCT
eurjchem-2675	181	1	figure	figure	NOUN
eurjchem-2675	181	2	7a	7a	NOUN
eurjchem-2675	181	3	illustrates	illustrate	VERB
eurjchem-2675	181	4	a	a	DET
eurjchem-2675	181	5	negative	negative	ADJ
eurjchem-2675	181	6	correlation	correlation	NOUN
eurjchem-2675	181	7	between	between	ADP
eurjchem-2675	181	8	the	the	DET
eurjchem-2675	181	9	real	real	ADJ
eurjchem-2675	181	10	and	and	CCONJ
eurjchem-2675	181	11	imaginary	imaginary	ADJ
eurjchem-2675	181	12	components	component	NOUN
eurjchem-2675	181	13	in	in	ADP
eurjchem-2675	181	14	behfo3	behfo3	NOUN
eurjchem-2675	181	15	,	,	PUNCT
eurjchem-2675	181	16	while	while	SCONJ
eurjchem-2675	181	17	the	the	DET
eurjchem-2675	181	18	real	real	ADJ
eurjchem-2675	181	19	part	part	NOUN
eurjchem-2675	181	20	was	be	AUX
eurjchem-2675	181	21	higher	high	ADJ
eurjchem-2675	181	22	from	from	ADP
eurjchem-2675	181	23	0.0	0.0	NUM
eurjchem-2675	181	24	to	to	PART
eurjchem-2675	181	25	5.0	5.0	NUM
eurjchem-2675	181	26	ev	ev	NOUN
eurjchem-2675	181	27	,	,	PUNCT
eurjchem-2675	181	28	followed	follow	VERB
eurjchem-2675	181	29	by	by	ADP
eurjchem-2675	181	30	a	a	DET
eurjchem-2675	181	31	decrease	decrease	NOUN
eurjchem-2675	181	32	at	at	ADP
eurjchem-2675	181	33	30	30	NUM
eurjchem-2675	181	34	ev	ev	NOUN
eurjchem-2675	181	35	.	.	PUNCT
eurjchem-2675	182	1	the	the	DET
eurjchem-2675	182	2	reliable	reliable	ADJ
eurjchem-2675	182	3	characteristics	characteristic	NOUN
eurjchem-2675	182	4	of	of	ADP
eurjchem-2675	182	5	behfo3	behfo3	NOUN
eurjchem-2675	182	6	in	in	ADP
eurjchem-2675	182	7	terms	term	NOUN
eurjchem-2675	182	8	of	of	ADP
eurjchem-2675	182	9	its	its	PRON
eurjchem-2675	182	10	absorption	absorption	NOUN
eurjchem-2675	182	11	and	and	CCONJ
eurjchem-2675	182	12	refractive	refractive	ADJ
eurjchem-2675	182	13	properties	property	NOUN
eurjchem-2675	182	14	have	have	VERB
eurjchem-2675	182	15	significant	significant	ADJ
eurjchem-2675	182	16	implications	implication	NOUN
eurjchem-2675	182	17	for	for	ADP
eurjchem-2675	182	18	the	the	DET
eurjchem-2675	182	19	advancement	advancement	NOUN
eurjchem-2675	182	20	of	of	ADP
eurjchem-2675	182	21	new	new	ADJ
eurjchem-2675	182	22	optical	optical	ADJ
eurjchem-2675	182	23	phenomena	phenomenon	NOUN
eurjchem-2675	182	24	.	.	PUNCT
eurjchem-2675	183	1	al	al	PROPN
eurjchem-2675	183	2	masud	masud	PROPN
eurjchem-2675	183	3	et	et	PROPN
eurjchem-2675	183	4	al	al	PROPN
eurjchem-2675	183	5	.	.	PUNCT
eurjchem-2675	183	6	/	/	SYM
eurjchem-2675	183	7	european	european	PROPN
eurjchem-2675	183	8	journal	journal	PROPN
eurjchem-2675	183	9	of	of	ADP
eurjchem-2675	183	10	chemistry	chemistry	NOUN
eurjchem-2675	183	11	16	16	NUM
eurjchem-2675	183	12	(	(	PUNCT
eurjchem-2675	183	13	3	3	NUM
eurjchem-2675	183	14	)	)	PUNCT
eurjchem-2675	183	15	(	(	PUNCT
eurjchem-2675	183	16	2025	2025	NUM
eurjchem-2675	183	17	)	)	PUNCT
eurjchem-2675	183	18	292	292	NUM
eurjchem-2675	183	19	-	-	SYM
eurjchem-2675	183	20	301	301	NUM
eurjchem-2675	183	21	299	299	NUM
eurjchem-2675	183	22	2025	2025	NUM
eurjchem-2675	183	23	–	–	PUNCT
eurjchem-2675	183	24	european	european	ADJ
eurjchem-2675	183	25	journal	journal	NOUN
eurjchem-2675	183	26	of	of	ADP
eurjchem-2675	183	27	chemistry	chemistry	NOUN
eurjchem-2675	183	28	–	–	PUNCT
eurjchem-2675	183	29	cc	cc	NOUN
eurjchem-2675	183	30	by	by	ADP
eurjchem-2675	183	31	nc	nc	PROPN
eurjchem-2675	183	32	–	–	PUNCT
eurjchem-2675	183	33	doi	doi	NOUN
eurjchem-2675	183	34	:	:	PUNCT
eurjchem-2675	183	35	10.5155	10.5155	NUM
eurjchem-2675	183	36	/	/	SYM
eurjchem-2675	183	37	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	183	38	-	-	SYM
eurjchem-2675	183	39	301.2675	301.2675	NUM
eurjchem-2675	183	40	3.5.1	3.5.1	NUM
eurjchem-2675	183	41	.	.	PUNCT
eurjchem-2675	184	1	optical	optical	ADJ
eurjchem-2675	184	2	absorption	absorption	NOUN
eurjchem-2675	184	3	absorption	absorption	NOUN
eurjchem-2675	184	4	features	feature	VERB
eurjchem-2675	184	5	transpires	transpire	NOUN
eurjchem-2675	184	6	when	when	SCONJ
eurjchem-2675	184	7	objects	object	NOUN
eurjchem-2675	184	8	consume	consume	VERB
eurjchem-2675	184	9	electromagnetic	electromagnetic	ADJ
eurjchem-2675	184	10	frequencies	frequency	NOUN
eurjchem-2675	184	11	,	,	PUNCT
eurjchem-2675	184	12	delivering	deliver	VERB
eurjchem-2675	184	13	energetic	energetic	ADJ
eurjchem-2675	184	14	to	to	ADP
eurjchem-2675	184	15	molecules	molecule	NOUN
eurjchem-2675	184	16	or	or	CCONJ
eurjchem-2675	184	17	atoms	atom	NOUN
eurjchem-2675	184	18	,	,	PUNCT
eurjchem-2675	184	19	resulting	result	VERB
eurjchem-2675	184	20	in	in	ADP
eurjchem-2675	184	21	a	a	DET
eurjchem-2675	184	22	boost	boost	NOUN
eurjchem-2675	184	23	of	of	ADP
eurjchem-2675	184	24	their	their	PRON
eurjchem-2675	184	25	power	power	NOUN
eurjchem-2675	184	26	levels	level	NOUN
eurjchem-2675	184	27	[	[	X
eurjchem-2675	184	28	46,47	46,47	NUM
eurjchem-2675	184	29	]	]	PUNCT
eurjchem-2675	184	30	.	.	PUNCT
eurjchem-2675	185	1	figure	figure	NOUN
eurjchem-2675	185	2	7b	7b	PROPN
eurjchem-2675	185	3	illustrates	illustrate	VERB
eurjchem-2675	185	4	that	that	SCONJ
eurjchem-2675	185	5	behfo3	behfo3	NOUN
eurjchem-2675	185	6	displays	display	VERB
eurjchem-2675	185	7	a	a	DET
eurjchem-2675	185	8	consistent	consistent	ADJ
eurjchem-2675	185	9	absorption	absorption	NOUN
eurjchem-2675	185	10	pattern	pattern	NOUN
eurjchem-2675	185	11	across	across	ADP
eurjchem-2675	185	12	all	all	DET
eurjchem-2675	185	13	methodologies	methodology	NOUN
eurjchem-2675	185	14	,	,	PUNCT
eurjchem-2675	185	15	spanning	span	VERB
eurjchem-2675	185	16	range	range	NOUN
eurjchem-2675	185	17	from	from	ADP
eurjchem-2675	185	18	0	0	NUM
eurjchem-2675	185	19	to	to	ADP
eurjchem-2675	185	20	35	35	NUM
eurjchem-2675	185	21	ev	ev	NOUN
eurjchem-2675	185	22	.	.	PUNCT
eurjchem-2675	186	1	the	the	DET
eurjchem-2675	186	2	substance	substance	NOUN
eurjchem-2675	186	3	captures	capture	VERB
eurjchem-2675	186	4	light	light	NOUN
eurjchem-2675	186	5	within	within	ADP
eurjchem-2675	186	6	the	the	DET
eurjchem-2675	186	7	visible	visible	ADJ
eurjchem-2675	186	8	spectrum	spectrum	NOUN
eurjchem-2675	186	9	(	(	PUNCT
eurjchem-2675	186	10	1.78	1.78	NUM
eurjchem-2675	186	11	to	to	ADP
eurjchem-2675	186	12	4.14	4.14	NUM
eurjchem-2675	186	13	ev	ev	ADP
eurjchem-2675	186	14	or	or	CCONJ
eurjchem-2675	186	15	300	300	NUM
eurjchem-2675	186	16	to	to	PART
eurjchem-2675	186	17	700	700	NUM
eurjchem-2675	186	18	nm	nm	NOUN
eurjchem-2675	186	19	)	)	PUNCT
eurjchem-2675	186	20	,	,	PUNCT
eurjchem-2675	186	21	exhibiting	exhibit	VERB
eurjchem-2675	186	22	a	a	DET
eurjchem-2675	186	23	maximum	maximum	ADJ
eurjchem-2675	186	24	absorption	absorption	NOUN
eurjchem-2675	186	25	of	of	ADP
eurjchem-2675	186	26	around	around	ADV
eurjchem-2675	186	27	3.5	3.5	NUM
eurjchem-2675	186	28	ev	ev	NOUN
eurjchem-2675	186	29	.	.	PUNCT
eurjchem-2675	187	1	additionally	additionally	ADV
eurjchem-2675	187	2	,	,	PUNCT
eurjchem-2675	187	3	significant	significant	ADJ
eurjchem-2675	187	4	absorption	absorption	NOUN
eurjchem-2675	187	5	spikes	spike	NOUN
eurjchem-2675	187	6	are	be	AUX
eurjchem-2675	187	7	seen	see	VERB
eurjchem-2675	187	8	in	in	ADP
eurjchem-2675	187	9	the	the	DET
eurjchem-2675	187	10	ultraviolet	ultraviolet	NOUN
eurjchem-2675	187	11	(	(	PUNCT
eurjchem-2675	187	12	uv	uv	NOUN
eurjchem-2675	187	13	)	)	PUNCT
eurjchem-2675	187	14	range	range	NOUN
eurjchem-2675	187	15	,	,	PUNCT
eurjchem-2675	187	16	with	with	ADP
eurjchem-2675	187	17	the	the	DET
eurjchem-2675	187	18	most	most	ADV
eurjchem-2675	187	19	prominent	prominent	ADJ
eurjchem-2675	187	20	rise	rise	NOUN
eurjchem-2675	187	21	at	at	ADP
eurjchem-2675	187	22	24.5	24.5	NUM
eurjchem-2675	187	23	ev	ev	NOUN
eurjchem-2675	187	24	,	,	PUNCT
eurjchem-2675	187	25	indicating	indicate	VERB
eurjchem-2675	187	26	behfo3	behfo3	NOUN
eurjchem-2675	187	27	’s	’s	PART
eurjchem-2675	187	28	ability	ability	NOUN
eurjchem-2675	187	29	to	to	PART
eurjchem-2675	187	30	hold	hold	VERB
eurjchem-2675	187	31	onto	onto	ADP
eurjchem-2675	187	32	photons	photon	NOUN
eurjchem-2675	187	33	in	in	ADP
eurjchem-2675	187	34	both	both	CCONJ
eurjchem-2675	187	35	the	the	DET
eurjchem-2675	187	36	visible	visible	ADJ
eurjchem-2675	187	37	and	and	CCONJ
eurjchem-2675	187	38	uv	uv	NOUN
eurjchem-2675	187	39	ranges	range	NOUN
eurjchem-2675	187	40	.	.	PUNCT
eurjchem-2675	188	1	furthermore	furthermore	ADV
eurjchem-2675	188	2	,	,	PUNCT
eurjchem-2675	188	3	figures	figure	NOUN
eurjchem-2675	188	4	8a	8a	NUM
eurjchem-2675	188	5	-	-	SYM
eurjchem-2675	188	6	d	d	NOUN
eurjchem-2675	188	7	illustrate	illustrate	VERB
eurjchem-2675	188	8	the	the	DET
eurjchem-2675	188	9	absorption	absorption	NOUN
eurjchem-2675	188	10	coefficient	coefficient	NOUN
eurjchem-2675	188	11	curve	curve	NOUN
eurjchem-2675	188	12	of	of	ADP
eurjchem-2675	188	13	behfo3	behfo3	NOUN
eurjchem-2675	188	14	that	that	PRON
eurjchem-2675	188	15	varies	vary	VERB
eurjchem-2675	188	16	with	with	ADP
eurjchem-2675	188	17	wavelength	wavelength	NOUN
eurjchem-2675	188	18	,	,	PUNCT
eurjchem-2675	188	19	employing	employ	VERB
eurjchem-2675	188	20	the	the	DET
eurjchem-2675	188	21	methodologies	methodology	NOUN
eurjchem-2675	188	22	pbe	pbe	PROPN
eurjchem-2675	188	23	,	,	PUNCT
eurjchem-2675	188	24	rpbe	rpbe	PROPN
eurjchem-2675	188	25	,	,	PUNCT
eurjchem-2675	188	26	pbesol	pbesol	ADJ
eurjchem-2675	188	27	,	,	PUNCT
eurjchem-2675	188	28	lda	lda	PROPN
eurjchem-2675	188	29	and	and	CCONJ
eurjchem-2675	188	30	b3lyp	b3lyp	NUM
eurjchem-2675	188	31	(	(	PUNCT
eurjchem-2675	188	32	figure	figure	NOUN
eurjchem-2675	188	33	s8	s8	PROPN
eurjchem-2675	188	34	,	,	PUNCT
eurjchem-2675	188	35	esi	esi	PROPN
eurjchem-2675	188	36	)	)	PUNCT
eurjchem-2675	188	37	.	.	PUNCT
eurjchem-2675	189	1	the	the	DET
eurjchem-2675	189	2	curves	curve	NOUN
eurjchem-2675	189	3	exhibit	exhibit	VERB
eurjchem-2675	189	4	many	many	ADJ
eurjchem-2675	189	5	different	different	ADJ
eurjchem-2675	189	6	absorption	absorption	NOUN
eurjchem-2675	189	7	maxima	maxima	NOUN
eurjchem-2675	189	8	throughout	throughout	ADP
eurjchem-2675	189	9	the	the	DET
eurjchem-2675	189	10	visible	visible	ADJ
eurjchem-2675	189	11	spectrum	spectrum	NOUN
eurjchem-2675	189	12	,	,	PUNCT
eurjchem-2675	189	13	covering	cover	VERB
eurjchem-2675	189	14	wavelengths	wavelength	NOUN
eurjchem-2675	189	15	from	from	ADP
eurjchem-2675	189	16	300	300	NUM
eurjchem-2675	189	17	to	to	PART
eurjchem-2675	189	18	700	700	NUM
eurjchem-2675	189	19	nm	nm	NOUN
eurjchem-2675	189	20	.	.	PUNCT
eurjchem-2675	190	1	the	the	DET
eurjchem-2675	190	2	calculated	calculated	ADJ
eurjchem-2675	190	3	maximum	maximum	ADJ
eurjchem-2675	190	4	absorption	absorption	NOUN
eurjchem-2675	190	5	wavelengths	wavelength	NOUN
eurjchem-2675	190	6	of	of	ADP
eurjchem-2675	190	7	behfo3	behfo3	NOUN
eurjchem-2675	190	8	are	be	AUX
eurjchem-2675	190	9	about	about	ADV
eurjchem-2675	190	10	356	356	NUM
eurjchem-2675	190	11	,	,	PUNCT
eurjchem-2675	190	12	360	360	NUM
eurjchem-2675	190	13	,	,	PUNCT
eurjchem-2675	190	14	358	358	NUM
eurjchem-2675	190	15	,	,	PUNCT
eurjchem-2675	190	16	344	344	NUM
eurjchem-2675	190	17	,	,	PUNCT
eurjchem-2675	190	18	and	and	CCONJ
eurjchem-2675	190	19	309	309	NUM
eurjchem-2675	190	20	nm	nm	NOUN
eurjchem-2675	190	21	for	for	ADP
eurjchem-2675	190	22	the	the	DET
eurjchem-2675	190	23	corresponding	correspond	VERB
eurjchem-2675	190	24	techniques	technique	NOUN
eurjchem-2675	190	25	.	.	PUNCT
eurjchem-2675	191	1	these	these	DET
eurjchem-2675	191	2	wavelengths	wavelength	NOUN
eurjchem-2675	191	3	correlate	correlate	VERB
eurjchem-2675	191	4	to	to	ADP
eurjchem-2675	191	5	the	the	DET
eurjchem-2675	191	6	exact	exact	ADJ
eurjchem-2675	191	7	areas	area	NOUN
eurjchem-2675	191	8	where	where	SCONJ
eurjchem-2675	191	9	behfo3	behfo3	NOUN
eurjchem-2675	191	10	exhibits	exhibit	VERB
eurjchem-2675	191	11	its	its	PRON
eurjchem-2675	191	12	most	most	ADV
eurjchem-2675	191	13	significant	significant	ADJ
eurjchem-2675	191	14	light	light	ADJ
eurjchem-2675	191	15	absorption	absorption	NOUN
eurjchem-2675	191	16	.	.	PUNCT
eurjchem-2675	192	1	the	the	DET
eurjchem-2675	192	2	significant	significant	ADJ
eurjchem-2675	192	3	ultraviolet	ultraviolet	NOUN
eurjchem-2675	192	4	(	(	PUNCT
eurjchem-2675	192	5	uv	uv	NOUN
eurjchem-2675	192	6	)	)	PUNCT
eurjchem-2675	192	7	absorption	absorption	NOUN
eurjchem-2675	192	8	of	of	ADP
eurjchem-2675	192	9	behfo3	behfo3	NOUN
eurjchem-2675	192	10	makes	make	VERB
eurjchem-2675	192	11	it	it	PRON
eurjchem-2675	192	12	a	a	DET
eurjchem-2675	192	13	good	good	ADJ
eurjchem-2675	192	14	option	option	NOUN
eurjchem-2675	192	15	for	for	ADP
eurjchem-2675	192	16	uv	uv	NOUN
eurjchem-2675	192	17	detector	detector	NOUN
eurjchem-2675	192	18	use	use	NOUN
eurjchem-2675	192	19	.	.	PUNCT
eurjchem-2675	193	1	sensitive	sensitive	ADJ
eurjchem-2675	193	2	and	and	CCONJ
eurjchem-2675	193	3	selective	selective	ADJ
eurjchem-2675	193	4	uv	uv	NOUN
eurjchem-2675	193	5	detectors	detector	NOUN
eurjchem-2675	193	6	need	need	VERB
eurjchem-2675	193	7	materials	material	NOUN
eurjchem-2675	193	8	that	that	PRON
eurjchem-2675	193	9	can	can	AUX
eurjchem-2675	193	10	easily	easily	ADV
eurjchem-2675	193	11	catch	catch	VERB
eurjchem-2675	193	12	and	and	CCONJ
eurjchem-2675	193	13	transform	transform	VERB
eurjchem-2675	193	14	uv	uv	NOUN
eurjchem-2675	193	15	rays	ray	NOUN
eurjchem-2675	193	16	.	.	PUNCT
eurjchem-2675	194	1	the	the	DET
eurjchem-2675	194	2	stability	stability	NOUN
eurjchem-2675	194	3	and	and	CCONJ
eurjchem-2675	194	4	electrical	electrical	ADJ
eurjchem-2675	194	5	qualities	quality	NOUN
eurjchem-2675	194	6	of	of	ADP
eurjchem-2675	194	7	behfo3	behfo3	NOUN
eurjchem-2675	194	8	also	also	ADV
eurjchem-2675	194	9	make	make	VERB
eurjchem-2675	194	10	it	it	PRON
eurjchem-2675	194	11	a	a	DET
eurjchem-2675	194	12	good	good	ADJ
eurjchem-2675	194	13	candidate	candidate	NOUN
eurjchem-2675	194	14	for	for	ADP
eurjchem-2675	194	15	uv	uv	NOUN
eurjchem-2675	194	16	photodetectors	photodetector	NOUN
eurjchem-2675	194	17	,	,	PUNCT
eurjchem-2675	194	18	which	which	PRON
eurjchem-2675	194	19	means	mean	VERB
eurjchem-2675	194	20	it	it	PRON
eurjchem-2675	194	21	might	might	AUX
eurjchem-2675	194	22	be	be	AUX
eurjchem-2675	194	23	used	use	VERB
eurjchem-2675	194	24	in	in	ADP
eurjchem-2675	194	25	future	future	ADJ
eurjchem-2675	194	26	optoelectronic	optoelectronic	ADJ
eurjchem-2675	194	27	devices	device	NOUN
eurjchem-2675	194	28	that	that	PRON
eurjchem-2675	194	29	work	work	VERB
eurjchem-2675	194	30	in	in	ADP
eurjchem-2675	194	31	the	the	DET
eurjchem-2675	194	32	uv	uv	NOUN
eurjchem-2675	194	33	region	region	NOUN
eurjchem-2675	194	34	.	.	PUNCT
eurjchem-2675	195	1	the	the	DET
eurjchem-2675	195	2	existence	existence	NOUN
eurjchem-2675	195	3	of	of	ADP
eurjchem-2675	195	4	these	these	DET
eurjchem-2675	195	5	peaks	peak	NOUN
eurjchem-2675	195	6	signifies	signify	VERB
eurjchem-2675	195	7	that	that	SCONJ
eurjchem-2675	195	8	behfo3	behfo3	NOUN
eurjchem-2675	195	9	has	have	VERB
eurjchem-2675	195	10	certain	certain	ADJ
eurjchem-2675	195	11	absorption	absorption	NOUN
eurjchem-2675	195	12	properties	property	NOUN
eurjchem-2675	195	13	at	at	ADP
eurjchem-2675	195	14	these	these	DET
eurjchem-2675	195	15	exact	exact	ADJ
eurjchem-2675	195	16	wavelengths	wavelength	NOUN
eurjchem-2675	195	17	.	.	PUNCT
eurjchem-2675	196	1	furthermore	furthermore	ADV
eurjchem-2675	196	2	,	,	PUNCT
eurjchem-2675	196	3	the	the	DET
eurjchem-2675	196	4	material	material	NOUN
eurjchem-2675	196	5	has	have	VERB
eurjchem-2675	196	6	considerable	considerable	ADJ
eurjchem-2675	196	7	sensitivity	sensitivity	NOUN
eurjchem-2675	196	8	to	to	PART
eurjchem-2675	196	9	visible	visible	ADJ
eurjchem-2675	196	10	light	light	NOUN
eurjchem-2675	196	11	,	,	PUNCT
eurjchem-2675	196	12	as	as	SCONJ
eurjchem-2675	196	13	indicated	indicate	VERB
eurjchem-2675	196	14	by	by	ADP
eurjchem-2675	196	15	its	its	PRON
eurjchem-2675	196	16	pronounced	pronounce	VERB
eurjchem-2675	196	17	absorption	absorption	NOUN
eurjchem-2675	196	18	peaks	peak	NOUN
eurjchem-2675	196	19	,	,	PUNCT
eurjchem-2675	196	20	establishing	establish	VERB
eurjchem-2675	196	21	behfo3	behfo3	NOUN
eurjchem-2675	196	22	as	as	ADP
eurjchem-2675	196	23	a	a	DET
eurjchem-2675	196	24	very	very	ADV
eurjchem-2675	196	25	attractive	attractive	ADJ
eurjchem-2675	196	26	option	option	NOUN
eurjchem-2675	196	27	for	for	ADP
eurjchem-2675	196	28	optoelectronic	optoelectronic	ADJ
eurjchem-2675	196	29	and	and	CCONJ
eurjchem-2675	196	30	photocatalytic	photocatalytic	ADJ
eurjchem-2675	196	31	applications	application	NOUN
eurjchem-2675	196	32	,	,	PUNCT
eurjchem-2675	196	33	where	where	SCONJ
eurjchem-2675	196	34	effective	effective	ADJ
eurjchem-2675	196	35	manipulation	manipulation	NOUN
eurjchem-2675	196	36	and	and	CCONJ
eurjchem-2675	196	37	detection	detection	NOUN
eurjchem-2675	196	38	of	of	ADP
eurjchem-2675	196	39	visible	visible	ADJ
eurjchem-2675	196	40	light	light	NOUN
eurjchem-2675	196	41	are	be	AUX
eurjchem-2675	196	42	essential	essential	ADJ
eurjchem-2675	196	43	[	[	X
eurjchem-2675	196	44	48	48	NUM
eurjchem-2675	196	45	-	-	SYM
eurjchem-2675	196	46	50	50	NUM
eurjchem-2675	196	47	]	]	PUNCT
eurjchem-2675	196	48	.	.	PUNCT
eurjchem-2675	197	1	4	4	X
eurjchem-2675	197	2	.	.	X
eurjchem-2675	197	3	conclusions	conclusion	NOUN
eurjchem-2675	197	4	this	this	DET
eurjchem-2675	197	5	investigation	investigation	NOUN
eurjchem-2675	197	6	employs	employ	VERB
eurjchem-2675	197	7	various	various	ADJ
eurjchem-2675	197	8	computational	computational	ADJ
eurjchem-2675	197	9	techniques	technique	NOUN
eurjchem-2675	197	10	,	,	PUNCT
eurjchem-2675	197	11	such	such	ADJ
eurjchem-2675	197	12	as	as	ADP
eurjchem-2675	197	13	pbe	pbe	PROPN
eurjchem-2675	197	14	,	,	PUNCT
eurjchem-2675	197	15	rpbe	rpbe	PROPN
eurjchem-2675	197	16	,	,	PUNCT
eurjchem-2675	197	17	pbesol	pbesol	ADJ
eurjchem-2675	197	18	,	,	PUNCT
eurjchem-2675	197	19	lda	lda	PROPN
eurjchem-2675	197	20	,	,	PUNCT
eurjchem-2675	197	21	hse06	hse06	PROPN
eurjchem-2675	197	22	and	and	CCONJ
eurjchem-2675	197	23	b3lyp	b3lyp	PROPN
eurjchem-2675	197	24	,	,	PUNCT
eurjchem-2675	197	25	to	to	PART
eurjchem-2675	197	26	evaluate	evaluate	VERB
eurjchem-2675	197	27	the	the	DET
eurjchem-2675	197	28	bandgap	bandgap	NOUN
eurjchem-2675	197	29	energy	energy	NOUN
eurjchem-2675	197	30	,	,	PUNCT
eurjchem-2675	197	31	uncovering	uncover	VERB
eurjchem-2675	197	32	an	an	DET
eurjchem-2675	197	33	indirect	indirect	ADJ
eurjchem-2675	197	34	bandgap	bandgap	NOUN
eurjchem-2675	197	35	feature	feature	NOUN
eurjchem-2675	197	36	with	with	ADP
eurjchem-2675	197	37	computed	computed	ADJ
eurjchem-2675	197	38	values	value	NOUN
eurjchem-2675	197	39	of	of	ADP
eurjchem-2675	197	40	0.873	0.873	NUM
eurjchem-2675	197	41	,	,	PUNCT
eurjchem-2675	197	42	0.887	0.887	NUM
eurjchem-2675	197	43	,	,	PUNCT
eurjchem-2675	197	44	0.780	0.780	NUM
eurjchem-2675	197	45	,	,	PUNCT
eurjchem-2675	197	46	0.890	0.890	NUM
eurjchem-2675	197	47	,	,	PUNCT
eurjchem-2675	197	48	1.71	1.71	NUM
eurjchem-2675	197	49	and	and	CCONJ
eurjchem-2675	197	50	2.295	2.295	NUM
eurjchem-2675	197	51	ev	ev	NOUN
eurjchem-2675	197	52	,	,	PUNCT
eurjchem-2675	197	53	accordingly	accordingly	ADV
eurjchem-2675	197	54	.	.	PUNCT
eurjchem-2675	198	1	to	to	PART
eurjchem-2675	198	2	gain	gain	VERB
eurjchem-2675	198	3	deeper	deep	ADJ
eurjchem-2675	198	4	insight	insight	NOUN
eurjchem-2675	198	5	into	into	ADP
eurjchem-2675	198	6	the	the	DET
eurjchem-2675	198	7	electronic	electronic	ADJ
eurjchem-2675	198	8	structure	structure	NOUN
eurjchem-2675	198	9	,	,	PUNCT
eurjchem-2675	198	10	a	a	DET
eurjchem-2675	198	11	comprehensive	comprehensive	ADJ
eurjchem-2675	198	12	and	and	CCONJ
eurjchem-2675	198	13	partial	partial	ADJ
eurjchem-2675	198	14	density	density	NOUN
eurjchem-2675	198	15	of	of	ADP
eurjchem-2675	198	16	states	state	NOUN
eurjchem-2675	198	17	(	(	PUNCT
eurjchem-2675	198	18	dos	dos	PROPN
eurjchem-2675	198	19	)	)	PUNCT
eurjchem-2675	198	20	analysis	analysis	NOUN
eurjchem-2675	198	21	was	be	AUX
eurjchem-2675	198	22	performed	perform	VERB
eurjchem-2675	198	23	to	to	PART
eurjchem-2675	198	24	elucidate	elucidate	VERB
eurjchem-2675	198	25	the	the	DET
eurjchem-2675	198	26	contributions	contribution	NOUN
eurjchem-2675	198	27	of	of	ADP
eurjchem-2675	198	28	atomic	atomic	ADJ
eurjchem-2675	198	29	orbitals	orbital	NOUN
eurjchem-2675	198	30	to	to	ADP
eurjchem-2675	198	31	the	the	DET
eurjchem-2675	198	32	electronic	electronic	ADJ
eurjchem-2675	198	33	properties	property	NOUN
eurjchem-2675	198	34	of	of	ADP
eurjchem-2675	198	35	the	the	DET
eurjchem-2675	198	36	compound	compound	NOUN
eurjchem-2675	198	37	.	.	PUNCT
eurjchem-2675	199	1	furthermore	furthermore	ADV
eurjchem-2675	199	2	,	,	PUNCT
eurjchem-2675	199	3	bonding	bonding	NOUN
eurjchem-2675	199	4	characteristics	characteristic	NOUN
eurjchem-2675	199	5	were	be	AUX
eurjchem-2675	199	6	analyzed	analyze	VERB
eurjchem-2675	199	7	through	through	ADP
eurjchem-2675	199	8	mulliken	mulliken	ADJ
eurjchem-2675	199	9	population	population	NOUN
eurjchem-2675	199	10	charge	charge	NOUN
eurjchem-2675	199	11	estimations	estimation	NOUN
eurjchem-2675	199	12	,	,	PUNCT
eurjchem-2675	199	13	providing	provide	VERB
eurjchem-2675	199	14	a	a	DET
eurjchem-2675	199	15	detailed	detailed	ADJ
eurjchem-2675	199	16	understanding	understanding	NOUN
eurjchem-2675	199	17	of	of	ADP
eurjchem-2675	199	18	the	the	DET
eurjchem-2675	199	19	charge	charge	NOUN
eurjchem-2675	199	20	distribution	distribution	NOUN
eurjchem-2675	199	21	and	and	CCONJ
eurjchem-2675	199	22	interactions	interaction	NOUN
eurjchem-2675	199	23	within	within	ADP
eurjchem-2675	199	24	the	the	DET
eurjchem-2675	199	25	crystal	crystal	NOUN
eurjchem-2675	199	26	lattice	lattice	NOUN
eurjchem-2675	199	27	.	.	PUNCT
eurjchem-2675	200	1	the	the	DET
eurjchem-2675	200	2	crystalline	crystalline	ADJ
eurjchem-2675	200	3	structure	structure	NOUN
eurjchem-2675	200	4	of	of	ADP
eurjchem-2675	200	5	behfo3	behfo3	NOUN
eurjchem-2675	200	6	demonstrates	demonstrate	VERB
eurjchem-2675	200	7	remarkable	remarkable	ADJ
eurjchem-2675	200	8	mechanical	mechanical	ADJ
eurjchem-2675	200	9	robustness	robustness	NOUN
eurjchem-2675	200	10	,	,	PUNCT
eurjchem-2675	200	11	which	which	PRON
eurjchem-2675	200	12	is	be	AUX
eurjchem-2675	200	13	characterized	characterize	VERB
eurjchem-2675	200	14	by	by	ADP
eurjchem-2675	200	15	its	its	PRON
eurjchem-2675	200	16	ductility	ductility	NOUN
eurjchem-2675	200	17	,	,	PUNCT
eurjchem-2675	200	18	elastic	elastic	ADJ
eurjchem-2675	200	19	anisotropy	anisotropy	NOUN
eurjchem-2675	200	20	,	,	PUNCT
eurjchem-2675	200	21	and	and	CCONJ
eurjchem-2675	200	22	significant	significant	ADJ
eurjchem-2675	200	23	mechanical	mechanical	ADJ
eurjchem-2675	200	24	and	and	CCONJ
eurjchem-2675	200	25	thermal	thermal	ADJ
eurjchem-2675	200	26	stability	stability	NOUN
eurjchem-2675	200	27	.	.	PUNCT
eurjchem-2675	201	1	these	these	DET
eurjchem-2675	201	2	properties	property	NOUN
eurjchem-2675	201	3	indicate	indicate	VERB
eurjchem-2675	201	4	a	a	DET
eurjchem-2675	201	5	high	high	ADJ
eurjchem-2675	201	6	degree	degree	NOUN
eurjchem-2675	201	7	of	of	ADP
eurjchem-2675	201	8	structural	structural	ADJ
eurjchem-2675	201	9	resistance	resistance	NOUN
eurjchem-2675	201	10	under	under	ADP
eurjchem-2675	201	11	various	various	ADJ
eurjchem-2675	201	12	conditions	condition	NOUN
eurjchem-2675	201	13	.	.	PUNCT
eurjchem-2675	202	1	additionally	additionally	ADV
eurjchem-2675	202	2	,	,	PUNCT
eurjchem-2675	202	3	the	the	DET
eurjchem-2675	202	4	optical	optical	ADJ
eurjchem-2675	202	5	properties	property	NOUN
eurjchem-2675	202	6	of	of	ADP
eurjchem-2675	202	7	behfo3	behfo3	NOUN
eurjchem-2675	202	8	underscore	underscore	VERB
eurjchem-2675	202	9	its	its	PRON
eurjchem-2675	202	10	promise	promise	NOUN
eurjchem-2675	202	11	for	for	ADP
eurjchem-2675	202	12	photocatalytic	photocatalytic	ADJ
eurjchem-2675	202	13	applications	application	NOUN
eurjchem-2675	202	14	,	,	PUNCT
eurjchem-2675	202	15	owing	owe	VERB
eurjchem-2675	202	16	to	to	ADP
eurjchem-2675	202	17	its	its	PRON
eurjchem-2675	202	18	chop	chop	NOUN
eurjchem-2675	202	19	bandgap	bandgap	NOUN
eurjchem-2675	202	20	and	and	CCONJ
eurjchem-2675	202	21	remarkable	remarkable	ADJ
eurjchem-2675	202	22	absorption	absorption	NOUN
eurjchem-2675	202	23	aptitude	aptitude	NOUN
eurjchem-2675	202	24	throughout	throughout	ADP
eurjchem-2675	202	25	the	the	DET
eurjchem-2675	202	26	visible	visible	ADJ
eurjchem-2675	202	27	and	and	CCONJ
eurjchem-2675	202	28	ultraviolet	ultraviolet	ADJ
eurjchem-2675	202	29	exposure	exposure	NOUN
eurjchem-2675	202	30	range	range	NOUN
eurjchem-2675	202	31	.	.	PUNCT
eurjchem-2675	203	1	it	it	PRON
eurjchem-2675	203	2	additionally	additionally	ADV
eurjchem-2675	203	3	highlights	highlight	VERB
eurjchem-2675	203	4	behfo3	behfo3	NOUN
eurjchem-2675	203	5	as	as	ADP
eurjchem-2675	203	6	a	a	DET
eurjchem-2675	203	7	notable	notable	ADJ
eurjchem-2675	203	8	contender	contender	NOUN
eurjchem-2675	203	9	in	in	ADP
eurjchem-2675	203	10	the	the	DET
eurjchem-2675	203	11	realm	realm	NOUN
eurjchem-2675	203	12	of	of	ADP
eurjchem-2675	203	13	semiconducting	semiconducte	VERB
eurjchem-2675	203	14	photocatalysts	photocatalyst	NOUN
eurjchem-2675	203	15	,	,	PUNCT
eurjchem-2675	203	16	suggesting	suggest	VERB
eurjchem-2675	203	17	its	its	PRON
eurjchem-2675	203	18	potential	potential	ADJ
eurjchem-2675	203	19	utility	utility	NOUN
eurjchem-2675	203	20	in	in	ADP
eurjchem-2675	203	21	sophisticated	sophisticated	ADJ
eurjchem-2675	203	22	optoelectronic	optoelectronic	ADJ
eurjchem-2675	203	23	systems	system	NOUN
eurjchem-2675	203	24	.	.	PUNCT
eurjchem-2675	204	1	an	an	DET
eurjchem-2675	204	2	indepth	indepth	ADJ
eurjchem-2675	204	3	look	look	NOUN
eurjchem-2675	204	4	offers	offer	VERB
eurjchem-2675	204	5	a	a	DET
eurjchem-2675	204	6	basic	basic	ADJ
eurjchem-2675	204	7	understanding	understanding	NOUN
eurjchem-2675	204	8	of	of	ADP
eurjchem-2675	204	9	versatile	versatile	ADJ
eurjchem-2675	204	10	characteristics	characteristic	NOUN
eurjchem-2675	204	11	,	,	PUNCT
eurjchem-2675	204	12	enabling	enable	VERB
eurjchem-2675	204	13	its	its	PRON
eurjchem-2675	204	14	incorporation	incorporation	NOUN
eurjchem-2675	204	15	into	into	ADP
eurjchem-2675	204	16	various	various	ADJ
eurjchem-2675	204	17	technological	technological	ADJ
eurjchem-2675	204	18	fields	field	NOUN
eurjchem-2675	204	19	.	.	PUNCT
eurjchem-2675	205	1	acknowledgements	acknowledgement	NOUN
eurjchem-2675	205	2	the	the	DET
eurjchem-2675	205	3	authors	author	NOUN
eurjchem-2675	205	4	thank	thank	VERB
eurjchem-2675	205	5	the	the	DET
eurjchem-2675	205	6	department	department	PROPN
eurjchem-2675	205	7	of	of	ADP
eurjchem-2675	205	8	physics	physics	PROPN
eurjchem-2675	205	9	and	and	CCONJ
eurjchem-2675	205	10	ict	ict	PROPN
eurjchem-2675	205	11	,	,	PUNCT
eurjchem-2675	205	12	european	european	PROPN
eurjchem-2675	205	13	university	university	PROPN
eurjchem-2675	205	14	of	of	ADP
eurjchem-2675	205	15	bangladesh	bangladesh	PROPN
eurjchem-2675	205	16	,	,	PUNCT
eurjchem-2675	205	17	dhaka-1216	dhaka-1216	VERB
eurjchem-2675	205	18	,	,	PUNCT
eurjchem-2675	205	19	for	for	ADP
eurjchem-2675	205	20	providing	provide	VERB
eurjchem-2675	205	21	facilities	facility	NOUN
eurjchem-2675	205	22	and	and	CCONJ
eurjchem-2675	205	23	support	support	NOUN
eurjchem-2675	205	24	to	to	PART
eurjchem-2675	205	25	carry	carry	VERB
eurjchem-2675	205	26	out	out	ADP
eurjchem-2675	205	27	this	this	DET
eurjchem-2675	205	28	research	research	NOUN
eurjchem-2675	205	29	.	.	PUNCT
eurjchem-2675	206	1	supporting	support	VERB
eurjchem-2675	206	2	information	information	NOUN
eurjchem-2675	206	3	electronic	electronic	ADJ
eurjchem-2675	206	4	supplementary	supplementary	ADJ
eurjchem-2675	206	5	information	information	NOUN
eurjchem-2675	206	6	(	(	PUNCT
eurjchem-2675	206	7	esi	esi	NOUN
eurjchem-2675	206	8	)	)	PUNCT
eurjchem-2675	206	9	available	available	ADJ
eurjchem-2675	206	10	:	:	PUNCT
eurjchem-2675	206	11	figure	figure	NOUN
eurjchem-2675	206	12	s1	s1	PROPN
eurjchem-2675	206	13	.	.	PUNCT
eurjchem-2675	206	14	band	band	NOUN
eurjchem-2675	206	15	structure	structure	NOUN
eurjchem-2675	206	16	of	of	ADP
eurjchem-2675	206	17	behfo3	behfo3	NOUN
eurjchem-2675	206	18	using	use	VERB
eurjchem-2675	206	19	the	the	DET
eurjchem-2675	206	20	b3lyp	b3lyp	NUM
eurjchem-2675	206	21	method	method	NOUN
eurjchem-2675	206	22	.	.	PUNCT
eurjchem-2675	207	1	figure	figure	NOUN
eurjchem-2675	207	2	s2	s2	PROPN
eurjchem-2675	207	3	.	.	PUNCT
eurjchem-2675	207	4	band	band	NOUN
eurjchem-2675	207	5	structure	structure	NOUN
eurjchem-2675	207	6	of	of	ADP
eurjchem-2675	207	7	behfo3	behfo3	NOUN
eurjchem-2675	207	8	using	use	VERB
eurjchem-2675	207	9	the	the	DET
eurjchem-2675	207	10	hse06	hse06	PROPN
eurjchem-2675	207	11	method	method	NOUN
eurjchem-2675	207	12	.	.	PUNCT
eurjchem-2675	208	1	figure	figure	NOUN
eurjchem-2675	208	2	s3	s3	PROPN
eurjchem-2675	208	3	.	.	PUNCT
eurjchem-2675	209	1	dos	do	NOUN
eurjchem-2675	209	2	and	and	CCONJ
eurjchem-2675	209	3	pdos	pdo	NOUN
eurjchem-2675	209	4	of	of	ADP
eurjchem-2675	209	5	behfo3	behfo3	NOUN
eurjchem-2675	209	6	using	use	VERB
eurjchem-2675	209	7	the	the	DET
eurjchem-2675	209	8	b3lyp	b3lyp	NUM
eurjchem-2675	209	9	method	method	NOUN
eurjchem-2675	209	10	.	.	PUNCT
eurjchem-2675	210	1	figure	figure	NOUN
eurjchem-2675	210	2	s4	s4	PROPN
eurjchem-2675	210	3	.	.	PUNCT
eurjchem-2675	211	1	different	different	ADJ
eurjchem-2675	211	2	partial	partial	ADJ
eurjchem-2675	211	3	states	state	NOUN
eurjchem-2675	211	4	of	of	ADP
eurjchem-2675	211	5	behfo3	behfo3	NOUN
eurjchem-2675	211	6	using	use	VERB
eurjchem-2675	211	7	the	the	DET
eurjchem-2675	211	8	b3lyp	b3lyp	NUM
eurjchem-2675	211	9	method	method	NOUN
eurjchem-2675	211	10	.	.	PUNCT
eurjchem-2675	212	1	figure	figure	NOUN
eurjchem-2675	212	2	s5	s5	PROPN
eurjchem-2675	212	3	.	.	PUNCT
eurjchem-2675	213	1	heat	heat	NOUN
eurjchem-2675	213	2	capacity	capacity	NOUN
eurjchem-2675	213	3	of	of	ADP
eurjchem-2675	213	4	behfo3	behfo3	NOUN
eurjchem-2675	213	5	in	in	ADP
eurjchem-2675	213	6	(	(	PUNCT
eurjchem-2675	213	7	a	a	X
eurjchem-2675	213	8	)	)	PUNCT
eurjchem-2675	213	9	pbe	pbe	PROPN
eurjchem-2675	213	10	,	,	PUNCT
eurjchem-2675	213	11	(	(	PUNCT
eurjchem-2675	213	12	b	b	NOUN
eurjchem-2675	213	13	)	)	PUNCT
eurjchem-2675	213	14	rpbe	rpbe	NOUN
eurjchem-2675	213	15	(	(	PUNCT
eurjchem-2675	213	16	c	c	X
eurjchem-2675	213	17	)	)	PUNCT
eurjchem-2675	213	18	pbe	pbe	PROPN
eurjchem-2675	213	19	sol	sol	NOUN
eurjchem-2675	213	20	and	and	CCONJ
eurjchem-2675	213	21	(	(	PUNCT
eurjchem-2675	213	22	d	d	X
eurjchem-2675	213	23	)	)	PUNCT
eurjchem-2675	213	24	lda	lda	PROPN
eurjchem-2675	213	25	methods	method	NOUN
eurjchem-2675	213	26	.	.	PUNCT
eurjchem-2675	214	1	figure	figure	NOUN
eurjchem-2675	214	2	s6	s6	PROPN
eurjchem-2675	214	3	.	.	PUNCT
eurjchem-2675	215	1	(	(	PUNCT
eurjchem-2675	215	2	a	a	X
eurjchem-2675	215	3	)	)	PUNCT
eurjchem-2675	215	4	optical	optical	ADJ
eurjchem-2675	215	5	conductivity	conductivity	NOUN
eurjchem-2675	215	6	and	and	CCONJ
eurjchem-2675	215	7	(	(	PUNCT
eurjchem-2675	215	8	b	b	NOUN
eurjchem-2675	215	9	)	)	PUNCT
eurjchem-2675	215	10	dielectric	dielectric	ADJ
eurjchem-2675	215	11	function	function	NOUN
eurjchem-2675	215	12	of	of	ADP
eurjchem-2675	215	13	behfo3	behfo3	NOUN
eurjchem-2675	215	14	in	in	ADP
eurjchem-2675	215	15	gga	gga	NOUN
eurjchem-2675	215	16	using	use	VERB
eurjchem-2675	215	17	the	the	DET
eurjchem-2675	215	18	pbe	pbe	PROPN
eurjchem-2675	215	19	,	,	PUNCT
eurjchem-2675	215	20	rpbe	rpbe	PROPN
eurjchem-2675	215	21	,	,	PUNCT
eurjchem-2675	215	22	pbe	pbe	PROPN
eurjchem-2675	215	23	sol	sol	NOUN
eurjchem-2675	215	24	,	,	PUNCT
eurjchem-2675	215	25	lda	lda	PROPN
eurjchem-2675	215	26	and	and	CCONJ
eurjchem-2675	215	27	b3lyp	b3lyp	NUM
eurjchem-2675	215	28	methods	method	NOUN
eurjchem-2675	215	29	.	.	PUNCT
eurjchem-2675	216	1	figure	figure	NOUN
eurjchem-2675	216	2	s7	s7	NOUN
eurjchem-2675	216	3	.	.	PUNCT
eurjchem-2675	217	1	optical	optical	ADJ
eurjchem-2675	217	2	absorption	absorption	NOUN
eurjchem-2675	217	3	of	of	ADP
eurjchem-2675	217	4	behfo3	behfo3	NOUN
eurjchem-2675	217	5	using	use	VERB
eurjchem-2675	217	6	b3lyp	b3lyp	NUM
eurjchem-2675	217	7	method	method	NOUN
eurjchem-2675	217	8	.	.	PUNCT
eurjchem-2675	218	1	disclosure	disclosure	NOUN
eurjchem-2675	218	2	statement	statement	NOUN
eurjchem-2675	218	3	conflict	conflict	NOUN
eurjchem-2675	218	4	of	of	ADP
eurjchem-2675	218	5	interests	interest	NOUN
eurjchem-2675	218	6	:	:	PUNCT
eurjchem-2675	218	7	the	the	DET
eurjchem-2675	218	8	authors	author	NOUN
eurjchem-2675	218	9	declare	declare	VERB
eurjchem-2675	218	10	that	that	SCONJ
eurjchem-2675	218	11	they	they	PRON
eurjchem-2675	218	12	have	have	VERB
eurjchem-2675	218	13	no	no	DET
eurjchem-2675	218	14	conflict	conflict	NOUN
eurjchem-2675	218	15	of	of	ADP
eurjchem-2675	218	16	interest	interest	NOUN
eurjchem-2675	218	17	.	.	PUNCT
eurjchem-2675	219	1	ethical	ethical	ADJ
eurjchem-2675	219	2	approval	approval	NOUN
eurjchem-2675	219	3	:	:	PUNCT
eurjchem-2675	220	1	all	all	DET
eurjchem-2675	220	2	ethical	ethical	ADJ
eurjchem-2675	220	3	guidelines	guideline	NOUN
eurjchem-2675	220	4	have	have	AUX
eurjchem-2675	220	5	been	be	AUX
eurjchem-2675	220	6	adhered	adhere	VERB
eurjchem-2675	220	7	.	.	PUNCT
eurjchem-2675	221	1	sample	sample	NOUN
eurjchem-2675	221	2	availability	availability	NOUN
eurjchem-2675	221	3	:	:	PUNCT
eurjchem-2675	221	4	samples	sample	NOUN
eurjchem-2675	221	5	of	of	ADP
eurjchem-2675	221	6	the	the	DET
eurjchem-2675	221	7	compounds	compound	NOUN
eurjchem-2675	221	8	are	be	AUX
eurjchem-2675	221	9	available	available	ADJ
eurjchem-2675	221	10	from	from	ADP
eurjchem-2675	221	11	the	the	DET
eurjchem-2675	221	12	author	author	NOUN
eurjchem-2675	221	13	.	.	PUNCT
eurjchem-2675	222	1	credit	credit	NOUN
eurjchem-2675	222	2	authorship	authorship	NOUN
eurjchem-2675	222	3	contribution	contribution	NOUN
eurjchem-2675	222	4	statement	statement	NOUN
eurjchem-2675	222	5	conceptualization	conceptualization	NOUN
eurjchem-2675	222	6	:	:	PUNCT
eurjchem-2675	222	7	md	md	PROPN
eurjchem-2675	222	8	.	.	PUNCT
eurjchem-2675	223	1	al	al	PROPN
eurjchem-2675	223	2	masud	masud	PROPN
eurjchem-2675	223	3	,	,	PUNCT
eurjchem-2675	223	4	md	md	PROPN
eurjchem-2675	223	5	.	.	PROPN
eurjchem-2675	223	6	rajib	rajib	PROPN
eurjchem-2675	223	7	munshi	munshi	PROPN
eurjchem-2675	223	8	;	;	PUNCT
eurjchem-2675	223	9	methodology	methodology	NOUN
eurjchem-2675	223	10	:	:	PUNCT
eurjchem-2675	223	11	md	md	PROPN
eurjchem-2675	223	12	.	.	PUNCT
eurjchem-2675	224	1	al	al	PROPN
eurjchem-2675	224	2	masud	masud	PROPN
eurjchem-2675	224	3	,	,	PUNCT
eurjchem-2675	224	4	md	md	PROPN
eurjchem-2675	224	5	.	.	PROPN
eurjchem-2675	224	6	rajib	rajib	PROPN
eurjchem-2675	224	7	munshi	munshi	PROPN
eurjchem-2675	224	8	;	;	PUNCT
eurjchem-2675	224	9	software	software	NOUN
eurjchem-2675	224	10	:	:	PUNCT
eurjchem-2675	224	11	md	md	PROPN
eurjchem-2675	224	12	.	.	PROPN
eurjchem-2675	224	13	rajib	rajib	PROPN
eurjchem-2675	224	14	munshi	munshi	PROPN
eurjchem-2675	224	15	;	;	PUNCT
eurjchem-2675	224	16	validation	validation	NOUN
eurjchem-2675	224	17	:	:	PUNCT
eurjchem-2675	224	18	md	md	PROPN
eurjchem-2675	224	19	.	.	PUNCT
eurjchem-2675	225	1	al	al	PROPN
eurjchem-2675	225	2	masud	masud	PROPN
eurjchem-2675	225	3	,	,	PUNCT
eurjchem-2675	225	4	md	md	PROPN
eurjchem-2675	225	5	.	.	PROPN
eurjchem-2675	225	6	rajib	rajib	PROPN
eurjchem-2675	225	7	munshi	munshi	PROPN
eurjchem-2675	225	8	;	;	PUNCT
eurjchem-2675	225	9	formal	formal	ADJ
eurjchem-2675	225	10	analysis	analysis	NOUN
eurjchem-2675	225	11	:	:	PUNCT
eurjchem-2675	225	12	md	md	PROPN
eurjchem-2675	225	13	.	.	PUNCT
eurjchem-2675	226	1	al	al	PROPN
eurjchem-2675	226	2	masud	masud	PROPN
eurjchem-2675	226	3	,	,	PUNCT
eurjchem-2675	226	4	md	md	PROPN
eurjchem-2675	226	5	.	.	PROPN
eurjchem-2675	226	6	rajib	rajib	PROPN
eurjchem-2675	226	7	munshi	munshi	PROPN
eurjchem-2675	226	8	,	,	PUNCT
eurjchem-2675	226	9	tanvir	tanvir	PROPN
eurjchem-2675	226	10	chowdhury	chowdhury	PROPN
eurjchem-2675	226	11	,	,	PUNCT
eurjchem-2675	226	12	mita	mita	PROPN
eurjchem-2675	226	13	chakraborty	chakraborty	PROPN
eurjchem-2675	226	14	,	,	PUNCT
eurjchem-2675	226	15	rakibul	rakibul	PROPN
eurjchem-2675	226	16	islam	islam	PROPN
eurjchem-2675	226	17	;	;	PUNCT
eurjchem-2675	226	18	investigation	investigation	NOUN
eurjchem-2675	226	19	:	:	PUNCT
eurjchem-2675	226	20	md	md	PROPN
eurjchem-2675	226	21	.	.	PUNCT
eurjchem-2675	227	1	al	al	PROPN
eurjchem-2675	227	2	masud	masud	PROPN
eurjchem-2675	227	3	,	,	PUNCT
eurjchem-2675	227	4	md	md	PROPN
eurjchem-2675	227	5	.	.	PROPN
eurjchem-2675	227	6	rajib	rajib	PROPN
eurjchem-2675	227	7	munshi	munshi	PROPN
eurjchem-2675	227	8	,	,	PUNCT
eurjchem-2675	227	9	tanvir	tanvir	PROPN
eurjchem-2675	227	10	chowdhury	chowdhury	PROPN
eurjchem-2675	227	11	,	,	PUNCT
eurjchem-2675	227	12	mita	mita	PROPN
eurjchem-2675	227	13	chakraborty	chakraborty	PROPN
eurjchem-2675	227	14	,	,	PUNCT
eurjchem-2675	227	15	rakibul	rakibul	PROPN
eurjchem-2675	227	16	islam	islam	PROPN
eurjchem-2675	227	17	;	;	PUNCT
eurjchem-2675	227	18	resources	resource	NOUN
eurjchem-2675	227	19	:	:	PUNCT
eurjchem-2675	227	20	md	md	PROPN
eurjchem-2675	227	21	.	.	PROPN
eurjchem-2675	227	22	rajib	rajib	PROPN
eurjchem-2675	227	23	munshi	munshi	PROPN
eurjchem-2675	227	24	;	;	PUNCT
eurjchem-2675	227	25	data	datum	NOUN
eurjchem-2675	227	26	curation	curation	NOUN
eurjchem-2675	227	27	:	:	PUNCT
eurjchem-2675	227	28	md	md	PROPN
eurjchem-2675	227	29	.	.	PROPN
eurjchem-2675	227	30	rajib	rajib	PROPN
eurjchem-2675	227	31	munshi	munshi	PROPN
eurjchem-2675	227	32	;	;	PUNCT
eurjchem-2675	227	33	writing	write	VERB
eurjchem-2675	227	34	original	original	ADJ
eurjchem-2675	227	35	draft	draft	NOUN
eurjchem-2675	227	36	:	:	PUNCT
eurjchem-2675	227	37	md	md	PROPN
eurjchem-2675	227	38	.	.	PUNCT
eurjchem-2675	228	1	al	al	PROPN
eurjchem-2675	228	2	masud	masud	PROPN
eurjchem-2675	228	3	,	,	PUNCT
eurjchem-2675	228	4	md	md	PROPN
eurjchem-2675	228	5	.	.	PROPN
eurjchem-2675	228	6	rajib	rajib	PROPN
eurjchem-2675	228	7	munshi	munshi	PROPN
eurjchem-2675	228	8	,	,	PUNCT
eurjchem-2675	228	9	tanvir	tanvir	PROPN
eurjchem-2675	228	10	chowdhury	chowdhury	PROPN
eurjchem-2675	228	11	,	,	PUNCT
eurjchem-2675	228	12	mita	mita	PROPN
eurjchem-2675	228	13	chakraborty	chakraborty	PROPN
eurjchem-2675	228	14	,	,	PUNCT
eurjchem-2675	228	15	rakibul	rakibul	PROPN
eurjchem-2675	228	16	islam	islam	PROPN
eurjchem-2675	228	17	;	;	PUNCT
eurjchem-2675	228	18	writing	write	VERB
eurjchem-2675	228	19	review	review	NOUN
eurjchem-2675	228	20	and	and	CCONJ
eurjchem-2675	228	21	editing	editing	NOUN
eurjchem-2675	228	22	:	:	PUNCT
eurjchem-2675	228	23	md	md	PROPN
eurjchem-2675	228	24	.	.	PUNCT
eurjchem-2675	229	1	al	al	PROPN
eurjchem-2675	229	2	masud	masud	PROPN
eurjchem-2675	229	3	,	,	PUNCT
eurjchem-2675	229	4	md	md	PROPN
eurjchem-2675	229	5	.	.	PROPN
eurjchem-2675	229	6	rajib	rajib	PROPN
eurjchem-2675	229	7	munshi	munshi	PROPN
eurjchem-2675	229	8	,	,	PUNCT
eurjchem-2675	229	9	tanvir	tanvir	PROPN
eurjchem-2675	229	10	chowdhury	chowdhury	PROPN
eurjchem-2675	229	11	,	,	PUNCT
eurjchem-2675	229	12	mita	mita	PROPN
eurjchem-2675	229	13	chakraborty	chakraborty	PROPN
eurjchem-2675	229	14	,	,	PUNCT
eurjchem-2675	229	15	rakibul	rakibul	PROPN
eurjchem-2675	229	16	islam	islam	PROPN
eurjchem-2675	229	17	;	;	PUNCT
eurjchem-2675	229	18	visualization	visualization	NOUN
eurjchem-2675	229	19	:	:	PUNCT
eurjchem-2675	229	20	md	md	PROPN
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eurjchem-2675	229	22	rajib	rajib	PROPN
eurjchem-2675	229	23	munshi	munshi	PROPN
eurjchem-2675	229	24	;	;	PUNCT
eurjchem-2675	229	25	funding	funding	NOUN
eurjchem-2675	229	26	acquisition	acquisition	NOUN
eurjchem-2675	229	27	:	:	PUNCT
eurjchem-2675	229	28	md	md	PROPN
eurjchem-2675	229	29	.	.	PROPN
eurjchem-2675	229	30	rajib	rajib	PROPN
eurjchem-2675	229	31	munshi	munshi	PROPN
eurjchem-2675	229	32	;	;	PUNCT
eurjchem-2675	229	33	supervision	supervision	NOUN
eurjchem-2675	229	34	:	:	PUNCT
eurjchem-2675	229	35	md	md	PROPN
eurjchem-2675	229	36	.	.	PROPN
eurjchem-2675	229	37	rajib	rajib	PROPN
eurjchem-2675	229	38	munshi	munshi	PROPN
eurjchem-2675	229	39	;	;	PUNCT
eurjchem-2675	229	40	project	project	NOUN
eurjchem-2675	229	41	administration	administration	NOUN
eurjchem-2675	229	42	:	:	PUNCT
eurjchem-2675	229	43	md	md	PROPN
eurjchem-2675	229	44	.	.	PROPN
eurjchem-2675	229	45	rajib	rajib	PROPN
eurjchem-2675	229	46	munshi	munshi	PROPN
eurjchem-2675	229	47	.	.	PUNCT
eurjchem-2675	230	1	orcid	orcid	NOUN
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eurjchem-2675	230	4	md	md	PROPN
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eurjchem-2675	230	6	masud	masud	PROPN
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eurjchem-2675	231	2	md	md	PROPN
eurjchem-2675	231	3	.	.	PROPN
eurjchem-2675	231	4	rajib	rajib	PROPN
eurjchem-2675	231	5	munshi	munshi	PROPN
eurjchem-2675	231	6	razibmunshi@eub.edu.bd	razibmunshi@eub.edu.bd	PROPN
eurjchem-2675	231	7	https://orcid.org/0000-0002-5594-1014	https://orcid.org/0000-0002-5594-1014	PROPN
eurjchem-2675	231	8	tanvir	tanvir	PROPN
eurjchem-2675	231	9	chowdhury	chowdhury	PROPN
eurjchem-2675	231	10	tanvirchowdhury2@gmail.com	tanvirchowdhury2@gmail.com	X
eurjchem-2675	232	1	https://orcid.org/0009-0002-9434-2433	https://orcid.org/0009-0002-9434-2433	PROPN
eurjchem-2675	232	2	mita	mita	NOUN
eurjchem-2675	232	3	chakraborty	chakraborty	PROPN
eurjchem-2675	232	4	mita76h@gmail.com	mita76h@gmail.com	PROPN
eurjchem-2675	232	5	https://orcid.org/0009-0009-9038-7301	https://orcid.org/0009-0009-9038-7301	VERB
eurjchem-2675	232	6	rakibul	rakibul	ADJ
eurjchem-2675	233	1	islam	islam	PROPN
eurjchem-2675	233	2	rakib133@gmail.com	rakib133@gmail.com	X
eurjchem-2675	233	3	https://orcid.org/0009-0005-4294-7280	https://orcid.org/0009-0005-4294-7280	PROPN
eurjchem-2675	233	4	references	reference	NOUN
eurjchem-2675	233	5	[	[	X
eurjchem-2675	233	6	1	1	NUM
eurjchem-2675	233	7	]	]	PUNCT
eurjchem-2675	233	8	.	.	PUNCT
eurjchem-2675	234	1	deng	deng	PROPN
eurjchem-2675	234	2	,	,	PUNCT
eurjchem-2675	234	3	m.	m.	NOUN
eurjchem-2675	234	4	;	;	PUNCT
eurjchem-2675	234	5	shen	shen	PROPN
eurjchem-2675	234	6	,	,	PUNCT
eurjchem-2675	234	7	s.	s.	PROPN
eurjchem-2675	234	8	;	;	PUNCT
eurjchem-2675	234	9	wang	wang	PROPN
eurjchem-2675	234	10	,	,	PUNCT
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eurjchem-2675	234	12	;	;	PUNCT
eurjchem-2675	234	13	zhang	zhang	PROPN
eurjchem-2675	234	14	,	,	PUNCT
eurjchem-2675	234	15	y.	y.	PROPN
eurjchem-2675	234	16	;	;	PUNCT
eurjchem-2675	234	17	xu	xu	PROPN
eurjchem-2675	234	18	,	,	PUNCT
eurjchem-2675	234	19	h.	h.	PROPN
eurjchem-2675	234	20	;	;	PUNCT
eurjchem-2675	234	21	zhang	zhang	PROPN
eurjchem-2675	234	22	,	,	PUNCT
eurjchem-2675	234	23	t.	t.	PROPN
eurjchem-2675	234	24	;	;	PUNCT
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eurjchem-2675	234	32	nanocrystals	nanocrystal	NOUN
eurjchem-2675	234	33	and	and	CCONJ
eurjchem-2675	234	34	their	their	PRON
eurjchem-2675	234	35	application	application	NOUN
eurjchem-2675	234	36	in	in	ADP
eurjchem-2675	234	37	organic	organic	ADJ
eurjchem-2675	234	38	–	–	PUNCT
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eurjchem-2675	234	41	photodetectors	photodetector	NOUN
eurjchem-2675	234	42	.	.	PUNCT
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eurjchem-2675	235	2	.	.	PUNCT
eurjchem-2675	236	1	2013	2013	NUM
eurjchem-2675	236	2	,	,	PUNCT
eurjchem-2675	236	3	15	15	NUM
eurjchem-2675	236	4	(	(	PUNCT
eurjchem-2675	236	5	33	33	NUM
eurjchem-2675	236	6	)	)	PUNCT
eurjchem-2675	236	7	,	,	PUNCT
eurjchem-2675	236	8	6443	6443	NUM
eurjchem-2675	236	9	.	.	PUNCT
eurjchem-2675	237	1	[	[	X
eurjchem-2675	237	2	2	2	NUM
eurjchem-2675	237	3	]	]	PUNCT
eurjchem-2675	237	4	.	.	PUNCT
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eurjchem-2675	238	2	,	,	PUNCT
eurjchem-2675	238	3	j.	j.	PROPN
eurjchem-2675	238	4	;	;	PUNCT
eurjchem-2675	238	5	hu	hu	PROPN
eurjchem-2675	238	6	,	,	PUNCT
eurjchem-2675	238	7	j.	j.	PROPN
eurjchem-2675	238	8	;	;	PUNCT
eurjchem-2675	238	9	king	king	PROPN
eurjchem-2675	238	10	,	,	PUNCT
eurjchem-2675	238	11	d.	d.	PROPN
eurjchem-2675	238	12	;	;	PUNCT
eurjchem-2675	238	13	wang	wang	PROPN
eurjchem-2675	238	14	,	,	PUNCT
eurjchem-2675	238	15	y.	y.	NOUN
eurjchem-2675	238	16	an	an	DET
eurjchem-2675	238	17	overview	overview	NOUN
eurjchem-2675	238	18	of	of	ADP
eurjchem-2675	238	19	hydrogen	hydrogen	NOUN
eurjchem-2675	238	20	production	production	NOUN
eurjchem-2675	238	21	technologies	technology	NOUN
eurjchem-2675	238	22	.	.	PUNCT
eurjchem-2675	239	1	catalysis	catalysis	NOUN
eurjchem-2675	239	2	today	today	NOUN
eurjchem-2675	239	3	2009	2009	NUM
eurjchem-2675	239	4	,	,	PUNCT
eurjchem-2675	239	5	139	139	NUM
eurjchem-2675	239	6	(	(	PUNCT
eurjchem-2675	239	7	4	4	NUM
eurjchem-2675	239	8	)	)	PUNCT
eurjchem-2675	239	9	,	,	PUNCT
eurjchem-2675	239	10	244–260	244–260	NUM
eurjchem-2675	239	11	.	.	PUNCT
eurjchem-2675	240	1	[	[	X
eurjchem-2675	240	2	3	3	NUM
eurjchem-2675	240	3	]	]	PUNCT
eurjchem-2675	240	4	.	.	PUNCT
eurjchem-2675	241	1	sen	sen	PROPN
eurjchem-2675	241	2	,	,	PUNCT
eurjchem-2675	241	3	s.	s.	PROPN
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eurjchem-2675	241	5	;	;	PUNCT
eurjchem-2675	241	6	munshi	munshi	PROPN
eurjchem-2675	241	7	,	,	PUNCT
eurjchem-2675	241	8	m.	m.	PROPN
eurjchem-2675	241	9	r.	r.	PROPN
eurjchem-2675	241	10	;	;	PUNCT
eurjchem-2675	241	11	kumar	kumar	PROPN
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eurjchem-2675	241	13	a.	a.	NOUN
eurjchem-2675	241	14	;	;	PUNCT
eurjchem-2675	241	15	mortuza	mortuza	PROPN
eurjchem-2675	241	16	,	,	PUNCT
eurjchem-2675	241	17	a.	a.	NOUN
eurjchem-2675	241	18	a.	a.	NOUN
eurjchem-2675	241	19	;	;	PUNCT
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eurjchem-2675	241	21	,	,	PUNCT
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eurjchem-2675	241	23	s.	s.	PROPN
eurjchem-2675	241	24	;	;	PUNCT
eurjchem-2675	241	25	islam	islam	PROPN
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eurjchem-2675	241	27	m.	m.	NOUN
eurjchem-2675	241	28	a.	a.	PROPN
eurjchem-2675	241	29	;	;	PUNCT
eurjchem-2675	241	30	hossain	hossain	PROPN
eurjchem-2675	241	31	,	,	PUNCT
eurjchem-2675	241	32	m.	m.	NOUN
eurjchem-2675	241	33	n.	n.	PROPN
eurjchem-2675	241	34	;	;	PUNCT
eurjchem-2675	241	35	hossain	hossain	PROPN
eurjchem-2675	241	36	,	,	PUNCT
eurjchem-2675	241	37	m.	m.	PROPN
eurjchem-2675	241	38	k.	k.	PROPN
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eurjchem-2675	242	4	,	,	PUNCT
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eurjchem-2675	242	13	synthesized	synthesize	VERB
eurjchem-2675	242	14	smincorporating	smincorporate	VERB
eurjchem-2675	242	15	α	α	X
eurjchem-2675	242	16	-	-	PUNCT
eurjchem-2675	242	17	moo32d	moo32d	ADJ
eurjchem-2675	242	18	-	-	PUNCT
eurjchem-2675	242	19	layered	layered	ADJ
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eurjchem-2675	242	21	.	.	PUNCT
eurjchem-2675	243	1	rsc	rsc	PROPN
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eurjchem-2675	244	1	adv	adv	PROPN
eurjchem-2675	244	2	.	.	PUNCT
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eurjchem-2675	244	4	,	,	PUNCT
eurjchem-2675	244	5	12	12	NUM
eurjchem-2675	244	6	(	(	PUNCT
eurjchem-2675	244	7	53	53	NUM
eurjchem-2675	244	8	)	)	PUNCT
eurjchem-2675	244	9	,	,	PUNCT
eurjchem-2675	244	10	34584–34600	34584–34600	NUM
eurjchem-2675	244	11	.	.	PUNCT
eurjchem-2675	245	1	[	[	X
eurjchem-2675	245	2	4	4	NUM
eurjchem-2675	245	3	]	]	PUNCT
eurjchem-2675	245	4	.	.	PUNCT
eurjchem-2675	246	1	liu	liu	PROPN
eurjchem-2675	246	2	,	,	PUNCT
eurjchem-2675	246	3	y.	y.	PROPN
eurjchem-2675	246	4	;	;	PUNCT
eurjchem-2675	246	5	zhang	zhang	PROPN
eurjchem-2675	246	6	,	,	PUNCT
eurjchem-2675	246	7	w.	w.	PROPN
eurjchem-2675	246	8	;	;	PUNCT
eurjchem-2675	246	9	wang	wang	PROPN
eurjchem-2675	246	10	,	,	PUNCT
eurjchem-2675	246	11	b.	b.	PROPN
eurjchem-2675	246	12	;	;	PUNCT
eurjchem-2675	246	13	sun	sun	PROPN
eurjchem-2675	246	14	,	,	PUNCT
eurjchem-2675	246	15	l.	l.	PROPN
eurjchem-2675	246	16	;	;	PUNCT
eurjchem-2675	246	17	li	li	PROPN
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eurjchem-2675	246	19	f.	f.	PROPN
eurjchem-2675	246	20	;	;	PUNCT
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eurjchem-2675	246	23	z.	z.	PROPN
eurjchem-2675	246	24	;	;	PUNCT
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eurjchem-2675	246	28	;	;	PUNCT
eurjchem-2675	246	29	liu	liu	PROPN
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eurjchem-2675	246	31	b.	b.	PROPN
eurjchem-2675	246	32	;	;	PUNCT
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eurjchem-2675	246	34	,	,	PUNCT
eurjchem-2675	246	35	h.	h.	PROPN
eurjchem-2675	246	36	theoretical	theoretical	ADJ
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eurjchem-2675	246	39	investigations	investigation	NOUN
eurjchem-2675	246	40	on	on	ADP
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eurjchem-2675	246	43	mechanical	mechanical	ADJ
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eurjchem-2675	246	49	.	.	PUNCT
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eurjchem-2675	247	2	.	.	PUNCT
eurjchem-2675	248	1	int	int	NOUN
eurjchem-2675	248	2	.	.	PUNCT
eurjchem-2675	249	1	2018	2018	NUM
eurjchem-2675	249	2	,	,	PUNCT
eurjchem-2675	249	3	44	44	NUM
eurjchem-2675	249	4	(	(	PUNCT
eurjchem-2675	249	5	14	14	NUM
eurjchem-2675	249	6	)	)	PUNCT
eurjchem-2675	249	7	,	,	PUNCT
eurjchem-2675	249	8	16475–16482	16475–16482	NUM
eurjchem-2675	249	9	.	.	PUNCT
eurjchem-2675	250	1	[	[	X
eurjchem-2675	250	2	5	5	NUM
eurjchem-2675	250	3	]	]	PUNCT
eurjchem-2675	250	4	.	.	PUNCT
eurjchem-2675	251	1	feng	feng	PROPN
eurjchem-2675	251	2	,	,	PUNCT
eurjchem-2675	251	3	z.	z.	PROPN
eurjchem-2675	251	4	;	;	PUNCT
eurjchem-2675	251	5	hu	hu	PROPN
eurjchem-2675	251	6	,	,	PUNCT
eurjchem-2675	251	7	h.	h.	PROPN
eurjchem-2675	251	8	;	;	PUNCT
eurjchem-2675	251	9	cui	cui	PROPN
eurjchem-2675	251	10	,	,	PUNCT
eurjchem-2675	251	11	s.	s.	PROPN
eurjchem-2675	251	12	;	;	PUNCT
eurjchem-2675	251	13	bai	bai	PROPN
eurjchem-2675	251	14	,	,	PUNCT
eurjchem-2675	251	15	c.	c.	PROPN
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eurjchem-2675	251	17	-	-	PUNCT
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eurjchem-2675	252	1	solid	solid	ADJ
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eurjchem-2675	252	9	-	-	SYM
eurjchem-2675	252	10	10	10	NUM
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eurjchem-2675	252	12	,	,	PUNCT
eurjchem-2675	252	13	472–475	472–475	NUM
eurjchem-2675	252	14	.	.	PUNCT
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eurjchem-2675	255	1	mailto:mita76h@gmail.com	mailto:mita76h@gmail.com	INTJ
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eurjchem-2675	256	9	(	(	PUNCT
eurjchem-2675	256	10	3	3	NUM
eurjchem-2675	256	11	)	)	PUNCT
eurjchem-2675	256	12	(	(	PUNCT
eurjchem-2675	256	13	2025	2025	NUM
eurjchem-2675	256	14	)	)	PUNCT
eurjchem-2675	256	15	292	292	NUM
eurjchem-2675	256	16	-	-	SYM
eurjchem-2675	256	17	301	301	NUM
eurjchem-2675	256	18	2025	2025	NUM
eurjchem-2675	256	19	–	–	PUNCT
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eurjchem-2675	256	22	of	of	ADP
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eurjchem-2675	256	24	–	–	PUNCT
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eurjchem-2675	256	26	by	by	ADP
eurjchem-2675	256	27	nc	nc	PROPN
eurjchem-2675	256	28	–	–	PUNCT
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eurjchem-2675	256	30	:	:	PUNCT
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eurjchem-2675	256	34	-	-	SYM
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eurjchem-2675	256	36	[	[	X
eurjchem-2675	256	37	6	6	NUM
eurjchem-2675	256	38	]	]	PUNCT
eurjchem-2675	256	39	.	.	PUNCT
eurjchem-2675	257	1	islam	islam	PROPN
eurjchem-2675	257	2	,	,	PUNCT
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eurjchem-2675	257	5	;	;	PUNCT
eurjchem-2675	257	6	kumer	kumer	PROPN
eurjchem-2675	257	7	,	,	PUNCT
eurjchem-2675	257	8	a.	a.	NOUN
eurjchem-2675	257	9	;	;	PUNCT
eurjchem-2675	257	10	chakma	chakma	NOUN
eurjchem-2675	257	11	,	,	PUNCT
eurjchem-2675	257	12	u.	u.	PROPN
eurjchem-2675	257	13	;	;	PUNCT
eurjchem-2675	257	14	howlader	howlader	PROPN
eurjchem-2675	257	15	,	,	PUNCT
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eurjchem-2675	257	17	a	a	DET
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eurjchem-2675	257	20	of	of	ADP
eurjchem-2675	257	21	electronic	electronic	ADJ
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eurjchem-2675	257	24	optical	optical	ADJ
eurjchem-2675	257	25	properties	property	NOUN
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eurjchem-2675	257	32	first	first	ADJ
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eurjchem-2675	257	35	.	.	PUNCT
eurjchem-2675	258	1	orbital	orbital	ADJ
eurjchem-2675	258	2	:	:	PUNCT
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eurjchem-2675	258	6	.	.	PUNCT
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eurjchem-2675	259	2	,	,	PUNCT
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eurjchem-2675	259	4	(	(	PUNCT
eurjchem-2675	259	5	1	1	NUM
eurjchem-2675	259	6	)	)	PUNCT
eurjchem-2675	259	7	.	.	PUNCT
eurjchem-2675	260	1	[	[	X
eurjchem-2675	260	2	7	7	NUM
eurjchem-2675	260	3	]	]	PUNCT
eurjchem-2675	260	4	.	.	PUNCT
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eurjchem-2675	261	2	,	,	PUNCT
eurjchem-2675	261	3	s.	s.	PROPN
eurjchem-2675	261	4	;	;	PUNCT
eurjchem-2675	261	5	bousquet	bousquet	PROPN
eurjchem-2675	261	6	,	,	PUNCT
eurjchem-2675	261	7	e.	e.	PROPN
eurjchem-2675	261	8	;	;	PUNCT
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eurjchem-2675	261	10	,	,	PUNCT
eurjchem-2675	261	11	k.	k.	PROPN
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eurjchem-2675	261	13	ghosez	ghosez	NOUN
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eurjchem-2675	261	25	of	of	ADP
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eurjchem-2675	261	27	.	.	PUNCT
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eurjchem-2675	262	2	.	.	PUNCT
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eurjchem-2675	264	3	,	,	PUNCT
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eurjchem-2675	264	5	(	(	PUNCT
eurjchem-2675	264	6	6	6	NUM
eurjchem-2675	264	7	)	)	PUNCT
eurjchem-2675	264	8	,	,	PUNCT
eurjchem-2675	264	9	064112	064112	NUM
eurjchem-2675	264	10	.	.	PUNCT
eurjchem-2675	265	1	[	[	X
eurjchem-2675	265	2	8	8	NUM
eurjchem-2675	265	3	]	]	PUNCT
eurjchem-2675	265	4	.	.	PUNCT
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eurjchem-2675	266	2	,	,	PUNCT
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eurjchem-2675	266	4	first	first	ADJ
eurjchem-2675	266	5	-	-	PUNCT
eurjchem-2675	266	6	principles	principle	NOUN
eurjchem-2675	266	7	study	study	NOUN
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eurjchem-2675	266	13	of	of	ADP
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eurjchem-2675	266	18	.	.	PUNCT
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eurjchem-2675	267	4	.	.	PUNCT
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eurjchem-2675	268	2	,	,	PUNCT
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eurjchem-2675	268	4	,	,	PUNCT
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eurjchem-2675	268	6	.	.	PUNCT
eurjchem-2675	269	1	[	[	X
eurjchem-2675	269	2	9	9	NUM
eurjchem-2675	269	3	]	]	PUNCT
eurjchem-2675	269	4	.	.	PUNCT
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eurjchem-2675	270	2	,	,	PUNCT
eurjchem-2675	270	3	s.	s.	PROPN
eurjchem-2675	270	4	g.	g.	PROPN
eurjchem-2675	270	5	;	;	PUNCT
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eurjchem-2675	270	7	,	,	PUNCT
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eurjchem-2675	270	35	.	.	PUNCT
eurjchem-2675	271	1	j.	j.	PROPN
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eurjchem-2675	272	2	.	.	PUNCT
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eurjchem-2675	273	2	.	.	PUNCT
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eurjchem-2675	274	2	,	,	PUNCT
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eurjchem-2675	274	4	(	(	PUNCT
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eurjchem-2675	274	6	)	)	PUNCT
eurjchem-2675	274	7	,	,	PUNCT
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eurjchem-2675	274	9	.	.	PUNCT
eurjchem-2675	275	1	[	[	X
eurjchem-2675	275	2	10	10	NUM
eurjchem-2675	275	3	]	]	PUNCT
eurjchem-2675	275	4	.	.	PUNCT
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eurjchem-2675	276	2	,	,	PUNCT
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eurjchem-2675	276	4	;	;	PUNCT
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eurjchem-2675	276	6	,	,	PUNCT
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eurjchem-2675	276	8	;	;	PUNCT
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eurjchem-2675	276	10	,	,	PUNCT
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eurjchem-2675	276	28	:	:	PUNCT
eurjchem-2675	276	29	first	first	ADJ
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eurjchem-2675	277	2	.	.	PUNCT
eurjchem-2675	278	1	b	b	X
eurjchem-2675	278	2	:	:	PUNCT
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eurjchem-2675	278	5	.	.	PUNCT
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eurjchem-2675	279	2	,	,	PUNCT
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eurjchem-2675	279	4	(	(	PUNCT
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eurjchem-2675	279	7	,	,	PUNCT
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eurjchem-2675	279	9	–	–	PUNCT
eurjchem-2675	279	10	4039	4039	NUM
eurjchem-2675	279	11	.	.	PUNCT
eurjchem-2675	280	1	[	[	X
eurjchem-2675	280	2	11	11	NUM
eurjchem-2675	280	3	]	]	PUNCT
eurjchem-2675	280	4	.	.	PUNCT
eurjchem-2675	281	1	husain	husain	NOUN
eurjchem-2675	281	2	,	,	PUNCT
eurjchem-2675	281	3	m.	m.	NOUN
eurjchem-2675	281	4	;	;	PUNCT
eurjchem-2675	281	5	albalawi	albalawi	PROPN
eurjchem-2675	281	6	,	,	PUNCT
eurjchem-2675	281	7	h.	h.	PROPN
eurjchem-2675	281	8	;	;	PUNCT
eurjchem-2675	281	9	huwayz	huwayz	PROPN
eurjchem-2675	281	10	,	,	PUNCT
eurjchem-2675	281	11	m.	m.	NOUN
eurjchem-2675	281	12	a.	a.	PROPN
eurjchem-2675	281	13	;	;	PUNCT
eurjchem-2675	281	14	al	al	PROPN
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eurjchem-2675	281	17	n.	n.	PROPN
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eurjchem-2675	283	2	.	.	PROPN
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eurjchem-2675	283	4	,	,	PUNCT
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eurjchem-2675	283	7	10	10	NUM
eurjchem-2675	283	8	)	)	PUNCT
eurjchem-2675	283	9	,	,	PUNCT
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eurjchem-2675	284	3	]	]	PUNCT
eurjchem-2675	284	4	.	.	PUNCT
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eurjchem-2675	285	2	,	,	PUNCT
eurjchem-2675	285	3	n.	n.	PROPN
eurjchem-2675	285	4	;	;	PUNCT
eurjchem-2675	285	5	husain	husain	PROPN
eurjchem-2675	285	6	,	,	PUNCT
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eurjchem-2675	285	8	;	;	PUNCT
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eurjchem-2675	285	19	h.	h.	PROPN
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eurjchem-2675	285	25	alghtani	alghtani	PROPN
eurjchem-2675	285	26	,	,	PUNCT
eurjchem-2675	285	27	a.	a.	PROPN
eurjchem-2675	285	28	h.	h.	PROPN
eurjchem-2675	285	29	;	;	PUNCT
eurjchem-2675	285	30	khan	khan	PROPN
eurjchem-2675	285	31	,	,	PUNCT
eurjchem-2675	285	32	r.	r.	PROPN
eurjchem-2675	285	33	;	;	PUNCT
eurjchem-2675	285	34	sohail	sohail	PROPN
eurjchem-2675	285	35	,	,	PUNCT
eurjchem-2675	285	36	m.	m.	NOUN
eurjchem-2675	285	37	;	;	PUNCT
eurjchem-2675	285	38	khan	khan	PROPN
eurjchem-2675	285	39	,	,	PUNCT
eurjchem-2675	285	40	a.	a.	NOUN
eurjchem-2675	285	41	a.	a.	NOUN
eurjchem-2675	285	42	;	;	PUNCT
eurjchem-2675	285	43	azzouzrached	azzouzrache	VERB
eurjchem-2675	285	44	,	,	PUNCT
eurjchem-2675	285	45	a.	a.	NOUN
eurjchem-2675	285	46	;	;	PUNCT
eurjchem-2675	285	47	khan	khan	PROPN
eurjchem-2675	285	48	,	,	PUNCT
eurjchem-2675	285	49	a.	a.	NOUN
eurjchem-2675	285	50	appealing	appeal	VERB
eurjchem-2675	285	51	perspectives	perspective	NOUN
eurjchem-2675	285	52	of	of	ADP
eurjchem-2675	285	53	the	the	DET
eurjchem-2675	285	54	structural	structural	ADJ
eurjchem-2675	285	55	,	,	PUNCT
eurjchem-2675	285	56	electronic	electronic	ADJ
eurjchem-2675	285	57	,	,	PUNCT
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eurjchem-2675	285	59	and	and	CCONJ
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eurjchem-2675	285	65	r	r	NOUN
eurjchem-2675	285	66	=	=	NOUN
eurjchem-2675	285	67	be	be	NOUN
eurjchem-2675	285	68	and	and	CCONJ
eurjchem-2675	285	69	mg	mg	NOUN
eurjchem-2675	285	70	)	)	PUNCT
eurjchem-2675	285	71	halide	halide	NOUN
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eurjchem-2675	285	73	:	:	PUNCT
eurjchem-2675	285	74	a	a	DET
eurjchem-2675	285	75	dft	dft	PROPN
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eurjchem-2675	285	77	.	.	PUNCT
eurjchem-2675	286	1	rsc	rsc	PROPN
eurjchem-2675	286	2	.	.	PUNCT
eurjchem-2675	287	1	adv	adv	PROPN
eurjchem-2675	287	2	.	.	PROPN
eurjchem-2675	288	1	2023	2023	NUM
eurjchem-2675	288	2	,	,	PUNCT
eurjchem-2675	288	3	13	13	NUM
eurjchem-2675	288	4	(	(	PUNCT
eurjchem-2675	288	5	27	27	NUM
eurjchem-2675	288	6	)	)	PUNCT
eurjchem-2675	288	7	,	,	PUNCT
eurjchem-2675	288	8	18934	18934	NUM
eurjchem-2675	288	9	–	–	PUNCT
eurjchem-2675	288	10	18945	18945	NUM
eurjchem-2675	288	11	.	.	PUNCT
eurjchem-2675	289	1	[	[	X
eurjchem-2675	289	2	13	13	NUM
eurjchem-2675	289	3	]	]	PUNCT
eurjchem-2675	289	4	.	.	PUNCT
eurjchem-2675	290	1	pasha	pasha	PROPN
eurjchem-2675	290	2	,	,	PUNCT
eurjchem-2675	290	3	a.	a.	NOUN
eurjchem-2675	290	4	a.	a.	PROPN
eurjchem-2675	290	5	;	;	PUNCT
eurjchem-2675	290	6	khan	khan	PROPN
eurjchem-2675	290	7	,	,	PUNCT
eurjchem-2675	290	8	h.	h.	PROPN
eurjchem-2675	290	9	;	;	PUNCT
eurjchem-2675	290	10	sohail	sohail	PROPN
eurjchem-2675	290	11	,	,	PUNCT
eurjchem-2675	290	12	m.	m.	NOUN
eurjchem-2675	290	13	;	;	PUNCT
eurjchem-2675	290	14	rahman	rahman	PROPN
eurjchem-2675	290	15	,	,	PUNCT
eurjchem-2675	290	16	n.	n.	PROPN
eurjchem-2675	290	17	;	;	PUNCT
eurjchem-2675	290	18	khan	khan	PROPN
eurjchem-2675	290	19	,	,	PUNCT
eurjchem-2675	290	20	r.	r.	PROPN
eurjchem-2675	290	21	;	;	PUNCT
eurjchem-2675	290	22	alsalmi	alsalmi	PROPN
eurjchem-2675	290	23	,	,	PUNCT
eurjchem-2675	290	24	o.	o.	PROPN
eurjchem-2675	290	25	h.	h.	PROPN
eurjchem-2675	290	26	;	;	PUNCT
eurjchem-2675	290	27	abduvalieva	abduvalieva	PROPN
eurjchem-2675	290	28	,	,	PUNCT
eurjchem-2675	290	29	d.	d.	PROPN
eurjchem-2675	290	30	;	;	PUNCT
eurjchem-2675	290	31	abualnaja	abualnaja	PROPN
eurjchem-2675	290	32	,	,	PUNCT
eurjchem-2675	290	33	k.	k.	PROPN
eurjchem-2675	290	34	m.	m.	PROPN
eurjchem-2675	290	35	;	;	PUNCT
eurjchem-2675	290	36	el	el	PROPN
eurjchem-2675	290	37	jery	jery	PROPN
eurjchem-2675	290	38	,	,	PUNCT
eurjchem-2675	290	39	a.	a.	NOUN
eurjchem-2675	290	40	;	;	PUNCT
eurjchem-2675	290	41	adrdery	adrdery	ADJ
eurjchem-2675	290	42	,	,	PUNCT
eurjchem-2675	290	43	m.	m.	NOUN
eurjchem-2675	290	44	computational	computational	ADJ
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eurjchem-2675	290	46	of	of	ADP
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eurjchem-2675	290	48	physical	physical	ADJ
eurjchem-2675	290	49	characteristics	characteristic	NOUN
eurjchem-2675	290	50	of	of	ADP
eurjchem-2675	290	51	si	si	NOUN
eurjchem-2675	290	52	-	-	PUNCT
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eurjchem-2675	290	59	using	use	VERB
eurjchem-2675	290	60	dft	dft	PROPN
eurjchem-2675	290	61	.	.	PROPN
eurjchem-2675	290	62	mater	mater	PROPN
eurjchem-2675	290	63	.	.	PUNCT
eurjchem-2675	291	1	adv	adv	PROPN
eurjchem-2675	291	2	.	.	PROPN
eurjchem-2675	292	1	2023	2023	NUM
eurjchem-2675	292	2	,	,	PUNCT
eurjchem-2675	292	3	4	4	NUM
eurjchem-2675	292	4	(	(	PUNCT
eurjchem-2675	292	5	24	24	NUM
eurjchem-2675	292	6	)	)	PUNCT
eurjchem-2675	292	7	,	,	PUNCT
eurjchem-2675	292	8	6645–6654	6645–6654	NUM
eurjchem-2675	292	9	.	.	PUNCT
eurjchem-2675	293	1	[	[	X
eurjchem-2675	293	2	14	14	NUM
eurjchem-2675	293	3	]	]	PUNCT
eurjchem-2675	293	4	.	.	PUNCT
eurjchem-2675	294	1	haoui	haoui	ADJ
eurjchem-2675	294	2	,	,	PUNCT
eurjchem-2675	294	3	a.	a.	NOUN
eurjchem-2675	294	4	;	;	PUNCT
eurjchem-2675	294	5	elchikh	elchikh	ADJ
eurjchem-2675	294	6	,	,	PUNCT
eurjchem-2675	294	7	m.	m.	NOUN
eurjchem-2675	294	8	;	;	PUNCT
eurjchem-2675	294	9	hiadsi	hiadsi	PROPN
eurjchem-2675	294	10	,	,	PUNCT
eurjchem-2675	294	11	s.	s.	PROPN
eurjchem-2675	294	12	mechanical	mechanical	ADJ
eurjchem-2675	294	13	,	,	PUNCT
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eurjchem-2675	294	16	thermoelectric	thermoelectric	ADJ
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eurjchem-2675	294	18	of	of	ADP
eurjchem-2675	294	19	the	the	DET
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eurjchem-2675	294	21	metal	metal	NOUN
eurjchem-2675	294	22	oxide	oxide	NOUN
eurjchem-2675	294	23	perovskites	perovskite	NOUN
eurjchem-2675	294	24	ysco3	ysco3	NOUN
eurjchem-2675	294	25	and	and	CCONJ
eurjchem-2675	294	26	lasco3	lasco3	PROPN
eurjchem-2675	294	27	:	:	PUNCT
eurjchem-2675	294	28	first	first	ADJ
eurjchem-2675	294	29	principle	principle	ADJ
eurjchem-2675	294	30	calculation	calculation	NOUN
eurjchem-2675	294	31	.	.	PUNCT
eurjchem-2675	295	1	physica	physica	NOUN
eurjchem-2675	295	2	.	.	PUNCT
eurjchem-2675	296	1	b	b	X
eurjchem-2675	296	2	:	:	PUNCT
eurjchem-2675	296	3	condensed	condense	VERB
eurjchem-2675	296	4	matter	matter	NOUN
eurjchem-2675	296	5	.	.	PUNCT
eurjchem-2675	297	1	2023	2023	NUM
eurjchem-2675	297	2	,	,	PUNCT
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eurjchem-2675	297	4	,	,	PUNCT
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eurjchem-2675	297	6	.	.	PUNCT
eurjchem-2675	298	1	[	[	X
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eurjchem-2675	298	3	]	]	PUNCT
eurjchem-2675	298	4	.	.	PUNCT
eurjchem-2675	299	1	shah	shah	PROPN
eurjchem-2675	299	2	,	,	PUNCT
eurjchem-2675	299	3	s.	s.	PROPN
eurjchem-2675	299	4	a.	a.	PROPN
eurjchem-2675	299	5	;	;	PUNCT
eurjchem-2675	299	6	husain	husain	PROPN
eurjchem-2675	299	7	,	,	PUNCT
eurjchem-2675	299	8	m.	m.	NOUN
eurjchem-2675	299	9	;	;	PUNCT
eurjchem-2675	299	10	rahman	rahman	PROPN
eurjchem-2675	299	11	,	,	PUNCT
eurjchem-2675	299	12	n.	n.	PROPN
eurjchem-2675	299	13	;	;	PUNCT
eurjchem-2675	299	14	sohail	sohail	PROPN
eurjchem-2675	299	15	,	,	PUNCT
eurjchem-2675	299	16	m.	m.	NOUN
eurjchem-2675	299	17	;	;	PUNCT
eurjchem-2675	299	18	khan	khan	PROPN
eurjchem-2675	299	19	,	,	PUNCT
eurjchem-2675	299	20	r.	r.	PROPN
eurjchem-2675	299	21	;	;	PUNCT
eurjchem-2675	299	22	khan	khan	PROPN
eurjchem-2675	299	23	,	,	PUNCT
eurjchem-2675	299	24	a.	a.	NOUN
eurjchem-2675	299	25	a.	a.	PROPN
eurjchem-2675	299	26	;	;	PUNCT
eurjchem-2675	299	27	ullah	ullah	PROPN
eurjchem-2675	299	28	,	,	PUNCT
eurjchem-2675	299	29	a.	a.	NOUN
eurjchem-2675	299	30	;	;	PUNCT
eurjchem-2675	299	31	abdelmohsen	abdelmohsen	PROPN
eurjchem-2675	299	32	,	,	PUNCT
eurjchem-2675	299	33	s.	s.	PROPN
eurjchem-2675	299	34	a.	a.	PROPN
eurjchem-2675	299	35	;	;	PUNCT
eurjchem-2675	299	36	abdelbacki	abdelbacki	PROPN
eurjchem-2675	299	37	,	,	PUNCT
eurjchem-2675	299	38	a.	a.	NOUN
eurjchem-2675	299	39	m.	m.	NOUN
eurjchem-2675	299	40	;	;	PUNCT
eurjchem-2675	299	41	el	el	NOUN
eurjchem-2675	299	42	-	-	PUNCT
eurjchem-2675	299	43	sabrout	sabrout	NOUN
eurjchem-2675	299	44	,	,	PUNCT
eurjchem-2675	299	45	a.	a.	NOUN
eurjchem-2675	299	46	m.	m.	NOUN
eurjchem-2675	299	47	;	;	PUNCT
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eurjchem-2675	299	49	,	,	PUNCT
eurjchem-2675	299	50	h.	h.	PROPN
eurjchem-2675	299	51	o.	o.	PROPN
eurjchem-2675	299	52	;	;	PUNCT
eurjchem-2675	299	53	khan	khan	PROPN
eurjchem-2675	299	54	,	,	PUNCT
eurjchem-2675	299	55	a.	a.	NOUN
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eurjchem-2675	299	63	,	,	PUNCT
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eurjchem-2675	299	65	and	and	CCONJ
eurjchem-2675	299	66	optical	optical	ADJ
eurjchem-2675	299	67	nature	nature	NOUN
eurjchem-2675	299	68	of	of	ADP
eurjchem-2675	299	69	gabecl3and	gabecl3and	PROPN
eurjchem-2675	299	70	inbecl3	inbecl3	PROPN
eurjchem-2675	299	71	:	:	PUNCT
eurjchem-2675	299	72	a	a	DET
eurjchem-2675	299	73	dft	dft	PROPN
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eurjchem-2675	299	75	.	.	PUNCT
eurjchem-2675	300	1	rsc	rsc	PROPN
eurjchem-2675	300	2	.	.	PUNCT
eurjchem-2675	301	1	adv	adv	PROPN
eurjchem-2675	301	2	.	.	PUNCT
eurjchem-2675	301	3	2022	2022	NUM
eurjchem-2675	301	4	,	,	PUNCT
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eurjchem-2675	301	6	(	(	PUNCT
eurjchem-2675	301	7	13	13	NUM
eurjchem-2675	301	8	)	)	PUNCT
eurjchem-2675	301	9	,	,	PUNCT
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eurjchem-2675	301	11	.	.	PUNCT
eurjchem-2675	302	1	[	[	X
eurjchem-2675	302	2	16	16	NUM
eurjchem-2675	302	3	]	]	PUNCT
eurjchem-2675	302	4	.	.	PUNCT
eurjchem-2675	303	1	ullah	ullah	PROPN
eurjchem-2675	303	2	,	,	PUNCT
eurjchem-2675	303	3	w.	w.	PROPN
eurjchem-2675	303	4	;	;	PUNCT
eurjchem-2675	303	5	husain	husain	PROPN
eurjchem-2675	303	6	,	,	PUNCT
eurjchem-2675	303	7	m.	m.	NOUN
eurjchem-2675	303	8	;	;	PUNCT
eurjchem-2675	303	9	rahman	rahman	PROPN
eurjchem-2675	303	10	,	,	PUNCT
eurjchem-2675	303	11	n.	n.	NOUN
eurjchem-2675	303	12	;	;	PUNCT
eurjchem-2675	303	13	sfina	sfina	NOUN
eurjchem-2675	303	14	,	,	PUNCT
eurjchem-2675	303	15	n.	n.	NOUN
eurjchem-2675	303	16	;	;	PUNCT
eurjchem-2675	303	17	elhadi	elhadi	NOUN
eurjchem-2675	303	18	,	,	PUNCT
eurjchem-2675	303	19	m.	m.	NOUN
eurjchem-2675	303	20	;	;	PUNCT
eurjchem-2675	303	21	khan	khan	PROPN
eurjchem-2675	303	22	,	,	PUNCT
eurjchem-2675	303	23	r.	r.	PROPN
eurjchem-2675	303	24	;	;	PUNCT
eurjchem-2675	303	25	sohail	sohail	PROPN
eurjchem-2675	303	26	,	,	PUNCT
eurjchem-2675	303	27	m.	m.	NOUN
eurjchem-2675	303	28	;	;	PUNCT
eurjchem-2675	303	29	azzouz	azzouz	NOUN
eurjchem-2675	303	30	-	-	PUNCT
eurjchem-2675	303	31	rached	rache	VERB
eurjchem-2675	303	32	,	,	PUNCT
eurjchem-2675	303	33	a.	a.	NOUN
eurjchem-2675	303	34	;	;	PUNCT
eurjchem-2675	303	35	uzair	uzair	PROPN
eurjchem-2675	303	36	,	,	PUNCT
eurjchem-2675	303	37	m.	m.	NOUN
eurjchem-2675	303	38	;	;	PUNCT
eurjchem-2675	303	39	khan	khan	PROPN
eurjchem-2675	303	40	,	,	PUNCT
eurjchem-2675	303	41	a.	a.	NOUN
eurjchem-2675	303	42	a.	a.	PROPN
eurjchem-2675	303	43	;	;	PUNCT
eurjchem-2675	303	44	khan	khan	PROPN
eurjchem-2675	303	45	,	,	PUNCT
eurjchem-2675	303	46	a.	a.	NOUN
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eurjchem-2675	303	48	analysis	analysis	NOUN
eurjchem-2675	303	49	of	of	ADP
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eurjchem-2675	303	51	,	,	PUNCT
eurjchem-2675	303	52	elastic	elastic	ADJ
eurjchem-2675	303	53	,	,	PUNCT
eurjchem-2675	303	54	and	and	CCONJ
eurjchem-2675	303	55	optoelectronic	optoelectronic	ADJ
eurjchem-2675	303	56	properties	property	NOUN
eurjchem-2675	303	57	of	of	ADP
eurjchem-2675	303	58	silicon	silicon	NOUN
eurjchem-2675	303	59	-	-	PUNCT
eurjchem-2675	303	60	based	base	VERB
eurjchem-2675	303	61	xsio3	xsio3	PROPN
eurjchem-2675	304	1	(	(	PUNCT
eurjchem-2675	304	2	x	x	X
eurjchem-2675	304	3	 	 	SPACE
eurjchem-2675	304	4	=	=	ADJ
eurjchem-2675	304	5	 	 	SPACE
eurjchem-2675	304	6	sc	sc	PROPN
eurjchem-2675	304	7	and	and	CCONJ
eurjchem-2675	304	8	y	y	NOUN
eurjchem-2675	304	9	)	)	PUNCT
eurjchem-2675	304	10	oxide	oxide	NOUN
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eurjchem-2675	304	13	employing	employ	VERB
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eurjchem-2675	304	17	theory	theory	NOUN
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eurjchem-2675	304	19	.	.	PUNCT
eurjchem-2675	305	1	silicon	silicon	PROPN
eurjchem-2675	305	2	2024	2024	NUM
eurjchem-2675	305	3	,	,	PUNCT
eurjchem-2675	305	4	16	16	NUM
eurjchem-2675	305	5	(	(	PUNCT
eurjchem-2675	305	6	7	7	NUM
eurjchem-2675	305	7	)	)	PUNCT
eurjchem-2675	305	8	,	,	PUNCT
eurjchem-2675	305	9	3021–3032	3021–3032	NUM
eurjchem-2675	305	10	.	.	PUNCT
eurjchem-2675	306	1	[	[	X
eurjchem-2675	306	2	17	17	NUM
eurjchem-2675	306	3	]	]	PUNCT
eurjchem-2675	306	4	.	.	PUNCT
eurjchem-2675	307	1	husain	husain	NOUN
eurjchem-2675	307	2	,	,	PUNCT
eurjchem-2675	307	3	m.	m.	NOUN
eurjchem-2675	307	4	;	;	PUNCT
eurjchem-2675	307	5	rahman	rahman	PROPN
eurjchem-2675	307	6	,	,	PUNCT
eurjchem-2675	307	7	n.	n.	NOUN
eurjchem-2675	307	8	;	;	PUNCT
eurjchem-2675	307	9	albalawi	albalawi	PROPN
eurjchem-2675	307	10	,	,	PUNCT
eurjchem-2675	307	11	h.	h.	PROPN
eurjchem-2675	307	12	;	;	PUNCT
eurjchem-2675	307	13	ezzine	ezzine	PROPN
eurjchem-2675	307	14	,	,	PUNCT
eurjchem-2675	307	15	s.	s.	PROPN
eurjchem-2675	307	16	;	;	PUNCT
eurjchem-2675	307	17	amami	amami	NOUN
eurjchem-2675	307	18	,	,	PUNCT
eurjchem-2675	307	19	m.	m.	NOUN
eurjchem-2675	307	20	;	;	PUNCT
eurjchem-2675	307	21	zaman	zaman	PROPN
eurjchem-2675	307	22	,	,	PUNCT
eurjchem-2675	307	23	t.	t.	PROPN
eurjchem-2675	307	24	;	;	PUNCT
eurjchem-2675	307	25	rehman	rehman	PROPN
eurjchem-2675	307	26	,	,	PUNCT
eurjchem-2675	307	27	a.	a.	NOUN
eurjchem-2675	307	28	u.	u.	PROPN
eurjchem-2675	307	29	;	;	PUNCT
eurjchem-2675	307	30	sohail	sohail	PROPN
eurjchem-2675	307	31	,	,	PUNCT
eurjchem-2675	307	32	m.	m.	NOUN
eurjchem-2675	307	33	;	;	PUNCT
eurjchem-2675	307	34	khan	khan	PROPN
eurjchem-2675	307	35	,	,	PUNCT
eurjchem-2675	307	36	r.	r.	PROPN
eurjchem-2675	307	37	;	;	PUNCT
eurjchem-2675	307	38	khan	khan	PROPN
eurjchem-2675	307	39	,	,	PUNCT
eurjchem-2675	307	40	a.	a.	NOUN
eurjchem-2675	307	41	a.	a.	PROPN
eurjchem-2675	307	42	;	;	PUNCT
eurjchem-2675	307	43	tahir	tahir	PROPN
eurjchem-2675	307	44	;	;	PUNCT
eurjchem-2675	307	45	khan	khan	PROPN
eurjchem-2675	307	46	,	,	PUNCT
eurjchem-2675	307	47	a.	a.	NOUN
eurjchem-2675	307	48	examining	examine	VERB
eurjchem-2675	307	49	computationally	computationally	ADV
eurjchem-2675	307	50	the	the	DET
eurjchem-2675	307	51	structural	structural	ADJ
eurjchem-2675	307	52	,	,	PUNCT
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eurjchem-2675	307	62	(	(	PUNCT
eurjchem-2675	307	63	q	q	NOUN
eurjchem-2675	307	64	=	=	SYM
eurjchem-2675	307	65	li	li	PROPN
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eurjchem-2675	307	67	k	k	NOUN
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eurjchem-2675	307	71	dft	dft	NOUN
eurjchem-2675	307	72	framework	framework	NOUN
eurjchem-2675	307	73	.	.	PUNCT
eurjchem-2675	308	1	rsc	rsc	PROPN
eurjchem-2675	308	2	.	.	PUNCT
eurjchem-2675	309	1	adv	adv	PROPN
eurjchem-2675	309	2	.	.	PUNCT
eurjchem-2675	309	3	2022	2022	NUM
eurjchem-2675	309	4	,	,	PUNCT
eurjchem-2675	309	5	12	12	NUM
eurjchem-2675	309	6	(	(	PUNCT
eurjchem-2675	309	7	50	50	NUM
eurjchem-2675	309	8	)	)	PUNCT
eurjchem-2675	309	9	,	,	PUNCT
eurjchem-2675	309	10	32338–32349	32338–32349	NUM
eurjchem-2675	309	11	.	.	PUNCT
eurjchem-2675	310	1	[	[	X
eurjchem-2675	310	2	18	18	NUM
eurjchem-2675	310	3	]	]	PUNCT
eurjchem-2675	310	4	.	.	PUNCT
eurjchem-2675	311	1	shah	shah	PROPN
eurjchem-2675	311	2	,	,	PUNCT
eurjchem-2675	311	3	s.	s.	PROPN
eurjchem-2675	311	4	a.	a.	PROPN
eurjchem-2675	311	5	;	;	PUNCT
eurjchem-2675	311	6	husain	husain	PROPN
eurjchem-2675	311	7	,	,	PUNCT
eurjchem-2675	311	8	m.	m.	NOUN
eurjchem-2675	311	9	;	;	PUNCT
eurjchem-2675	311	10	rahman	rahman	PROPN
eurjchem-2675	311	11	,	,	PUNCT
eurjchem-2675	311	12	n.	n.	PROPN
eurjchem-2675	311	13	;	;	PUNCT
eurjchem-2675	311	14	sohail	sohail	PROPN
eurjchem-2675	311	15	,	,	PUNCT
eurjchem-2675	311	16	m.	m.	NOUN
eurjchem-2675	311	17	;	;	PUNCT
eurjchem-2675	311	18	khan	khan	PROPN
eurjchem-2675	311	19	,	,	PUNCT
eurjchem-2675	311	20	r.	r.	PROPN
eurjchem-2675	311	21	;	;	PUNCT
eurjchem-2675	311	22	alataway	alataway	PROPN
eurjchem-2675	311	23	,	,	PUNCT
eurjchem-2675	311	24	a.	a.	NOUN
eurjchem-2675	311	25	;	;	PUNCT
eurjchem-2675	311	26	dewidar	dewidar	NOUN
eurjchem-2675	311	27	,	,	PUNCT
eurjchem-2675	311	28	a.	a.	PROPN
eurjchem-2675	311	29	z.	z.	PROPN
eurjchem-2675	311	30	;	;	PUNCT
eurjchem-2675	311	31	elansary	elansary	PROPN
eurjchem-2675	311	32	,	,	PUNCT
eurjchem-2675	311	33	h.	h.	PROPN
eurjchem-2675	311	34	o.	o.	PROPN
eurjchem-2675	311	35	;	;	PUNCT
eurjchem-2675	311	36	abu	abu	PROPN
eurjchem-2675	311	37	el	el	PROPN
eurjchem-2675	311	38	maati	maati	PROPN
eurjchem-2675	311	39	,	,	PUNCT
eurjchem-2675	311	40	l.	l.	PROPN
eurjchem-2675	311	41	;	;	PUNCT
eurjchem-2675	311	42	yessoufou	yessoufou	PROPN
eurjchem-2675	311	43	,	,	PUNCT
eurjchem-2675	311	44	k.	k.	PROPN
eurjchem-2675	311	45	;	;	PUNCT
eurjchem-2675	311	46	ullah	ullah	PROPN
eurjchem-2675	311	47	,	,	PUNCT
eurjchem-2675	311	48	a.	a.	PROPN
eurjchem-2675	311	49	;	;	PUNCT
eurjchem-2675	311	50	khan	khan	PROPN
eurjchem-2675	311	51	,	,	PUNCT
eurjchem-2675	311	52	a.	a.	NOUN
eurjchem-2675	311	53	insight	insight	NOUN
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eurjchem-2675	311	55	the	the	DET
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eurjchem-2675	311	57	,	,	PUNCT
eurjchem-2675	311	58	electronic	electronic	ADJ
eurjchem-2675	311	59	,	,	PUNCT
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eurjchem-2675	311	61	,	,	PUNCT
eurjchem-2675	311	62	optical	optical	ADJ
eurjchem-2675	311	63	,	,	PUNCT
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eurjchem-2675	311	65	magnetic	magnetic	ADJ
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eurjchem-2675	311	67	of	of	ADP
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eurjchem-2675	311	70	abf3	abf3	PROPN
eurjchem-2675	311	71	(	(	PUNCT
eurjchem-2675	311	72	a	a	PRON
eurjchem-2675	311	73	=	=	SYM
eurjchem-2675	311	74	tl	tl	PROPN
eurjchem-2675	311	75	,	,	PUNCT
eurjchem-2675	311	76	b	b	X
eurjchem-2675	311	77	=	=	SYM
eurjchem-2675	311	78	nb	nb	PROPN
eurjchem-2675	311	79	,	,	PUNCT
eurjchem-2675	311	80	v	v	NOUN
eurjchem-2675	311	81	)	)	PUNCT
eurjchem-2675	311	82	compounds	compound	NOUN
eurjchem-2675	311	83	:	:	PUNCT
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eurjchem-2675	311	85	by	by	ADP
eurjchem-2675	311	86	dft	dft	PROPN
eurjchem-2675	311	87	.	.	PUNCT
eurjchem-2675	312	1	materials	material	NOUN
eurjchem-2675	312	2	2022	2022	NUM
eurjchem-2675	312	3	,	,	PUNCT
eurjchem-2675	312	4	15	15	NUM
eurjchem-2675	312	5	(	(	PUNCT
eurjchem-2675	312	6	16	16	NUM
eurjchem-2675	312	7	)	)	PUNCT
eurjchem-2675	312	8	,	,	PUNCT
eurjchem-2675	312	9	5684	5684	NUM
eurjchem-2675	312	10	.	.	PUNCT
eurjchem-2675	313	1	[	[	X
eurjchem-2675	313	2	19	19	NUM
eurjchem-2675	313	3	]	]	PUNCT
eurjchem-2675	313	4	.	.	PUNCT
eurjchem-2675	314	1	khan	khan	PROPN
eurjchem-2675	314	2	,	,	PUNCT
eurjchem-2675	314	3	m.	m.	NOUN
eurjchem-2675	314	4	s.	s.	PROPN
eurjchem-2675	314	5	;	;	PUNCT
eurjchem-2675	314	6	sohail	sohail	PROPN
eurjchem-2675	314	7	,	,	PUNCT
eurjchem-2675	314	8	m.	m.	NOUN
eurjchem-2675	314	9	;	;	PUNCT
eurjchem-2675	314	10	rahman	rahman	PROPN
eurjchem-2675	314	11	,	,	PUNCT
eurjchem-2675	314	12	n.	n.	PROPN
eurjchem-2675	314	13	;	;	PUNCT
eurjchem-2675	314	14	khan	khan	PROPN
eurjchem-2675	314	15	,	,	PUNCT
eurjchem-2675	314	16	r.	r.	PROPN
eurjchem-2675	314	17	;	;	PUNCT
eurjchem-2675	314	18	ali	ali	PROPN
eurjchem-2675	314	19	,	,	PUNCT
eurjchem-2675	314	20	h.	h.	PROPN
eurjchem-2675	314	21	e.	e.	PROPN
eurjchem-2675	314	22	;	;	PUNCT
eurjchem-2675	314	23	jamil	jamil	PROPN
eurjchem-2675	314	24	,	,	PUNCT
eurjchem-2675	314	25	j.	j.	PROPN
eurjchem-2675	314	26	;	;	PUNCT
eurjchem-2675	314	27	abdullaeva	abdullaeva	PROPN
eurjchem-2675	314	28	,	,	PUNCT
eurjchem-2675	314	29	b.	b.	PROPN
eurjchem-2675	314	30	s.	s.	PROPN
eurjchem-2675	314	31	;	;	PUNCT
eurjchem-2675	314	32	abualnaja	abualnaja	PROPN
eurjchem-2675	314	33	,	,	PUNCT
eurjchem-2675	314	34	k.	k.	PROPN
eurjchem-2675	314	35	m.	m.	PROPN
eurjchem-2675	314	36	;	;	PUNCT
eurjchem-2675	314	37	alosaimi	alosaimi	PROPN
eurjchem-2675	314	38	,	,	PUNCT
eurjchem-2675	314	39	g.	g.	PROPN
eurjchem-2675	314	40	;	;	PUNCT
eurjchem-2675	314	41	khairy	khairy	PROPN
eurjchem-2675	314	42	,	,	PUNCT
eurjchem-2675	314	43	y.	y.	PROPN
eurjchem-2675	314	44	;	;	PUNCT
eurjchem-2675	314	45	algarni	algarni	PROPN
eurjchem-2675	314	46	,	,	PUNCT
eurjchem-2675	314	47	h.	h.	PROPN
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eurjchem-2675	314	52	,	,	PUNCT
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eurjchem-2675	314	54	,	,	PUNCT
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eurjchem-2675	314	56	,	,	PUNCT
eurjchem-2675	314	57	mechanical	mechanical	ADJ
eurjchem-2675	314	58	,	,	PUNCT
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eurjchem-2675	314	62	of	of	ADP
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eurjchem-2675	314	67	(	(	PUNCT
eurjchem-2675	314	68	j	j	NOUN
eurjchem-2675	314	69	 	 	SPACE
eurjchem-2675	314	70	=	=	PROPN
eurjchem-2675	314	71	 	 	SPACE
eurjchem-2675	314	72	mn	mn	PROPN
eurjchem-2675	314	73	,	,	PUNCT
eurjchem-2675	314	74	ru	ru	PROPN
eurjchem-2675	314	75	)	)	PUNCT
eurjchem-2675	314	76	perovskites	perovskite	NOUN
eurjchem-2675	314	77	:	:	PUNCT
eurjchem-2675	314	78	a	a	DET
eurjchem-2675	314	79	first	first	ADJ
eurjchem-2675	314	80	-	-	PUNCT
eurjchem-2675	314	81	principle	principle	NOUN
eurjchem-2675	314	82	computations	computation	NOUN
eurjchem-2675	314	83	.	.	PUNCT
eurjchem-2675	315	1	chem	chem	NOUN
eurjchem-2675	315	2	.	.	PUNCT
eurjchem-2675	316	1	pap	pap	NOUN
eurjchem-2675	316	2	.	.	PUNCT
eurjchem-2675	316	3	2024	2024	NUM
eurjchem-2675	316	4	,	,	PUNCT
eurjchem-2675	316	5	79	79	NUM
eurjchem-2675	316	6	(	(	PUNCT
eurjchem-2675	316	7	1	1	NUM
eurjchem-2675	316	8	)	)	PUNCT
eurjchem-2675	316	9	,	,	PUNCT
eurjchem-2675	316	10	95–105	95–105	NOUN
eurjchem-2675	316	11	.	.	PUNCT
eurjchem-2675	317	1	[	[	X
eurjchem-2675	317	2	20	20	NUM
eurjchem-2675	317	3	]	]	PUNCT
eurjchem-2675	317	4	.	.	PUNCT
eurjchem-2675	317	5	alrashidi	alrashidi	PROPN
eurjchem-2675	317	6	,	,	PUNCT
eurjchem-2675	317	7	k.	k.	PROPN
eurjchem-2675	317	8	a.	a.	PROPN
eurjchem-2675	317	9	;	;	PUNCT
eurjchem-2675	317	10	dixit	dixit	PROPN
eurjchem-2675	317	11	,	,	PUNCT
eurjchem-2675	317	12	a.	a.	PROPN
eurjchem-2675	317	13	;	;	PUNCT
eurjchem-2675	317	14	nazir	nazir	PROPN
eurjchem-2675	317	15	,	,	PUNCT
eurjchem-2675	317	16	a.	a.	PROPN
eurjchem-2675	317	17	;	;	PUNCT
eurjchem-2675	317	18	khera	khera	PROPN
eurjchem-2675	317	19	,	,	PUNCT
eurjchem-2675	317	20	e.	e.	PROPN
eurjchem-2675	317	21	a.	a.	PROPN
eurjchem-2675	317	22	;	;	PUNCT
eurjchem-2675	317	23	mohammad	mohammad	PROPN
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eurjchem-2675	317	25	s.	s.	PROPN
eurjchem-2675	317	26	;	;	PUNCT
eurjchem-2675	317	27	manzoor	manzoor	PROPN
eurjchem-2675	317	28	,	,	PUNCT
eurjchem-2675	317	29	m.	m.	NOUN
eurjchem-2675	317	30	;	;	PUNCT
eurjchem-2675	317	31	khan	khan	PROPN
eurjchem-2675	317	32	,	,	PUNCT
eurjchem-2675	317	33	r.	r.	PROPN
eurjchem-2675	317	34	;	;	PUNCT
eurjchem-2675	317	35	sharma	sharma	PROPN
eurjchem-2675	317	36	,	,	PUNCT
eurjchem-2675	317	37	r.	r.	PROPN
eurjchem-2675	317	38	a	a	DET
eurjchem-2675	317	39	dft	dft	PROPN
eurjchem-2675	317	40	approach	approach	NOUN
eurjchem-2675	317	41	to	to	ADP
eurjchem-2675	317	42	insight	insight	NOUN
eurjchem-2675	317	43	on	on	ADP
eurjchem-2675	317	44	the	the	DET
eurjchem-2675	317	45	structural	structural	ADJ
eurjchem-2675	317	46	,	,	PUNCT
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eurjchem-2675	317	51	of	of	ADP
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eurjchem-2675	317	54	yxo3	yxo3	PROPN
eurjchem-2675	317	55	(	(	PUNCT
eurjchem-2675	317	56	x	x	SYM
eurjchem-2675	317	57	 	 	SPACE
eurjchem-2675	317	58	=	=	NOUN
eurjchem-2675	317	59	 	 	SPACE
eurjchem-2675	317	60	ga	ga	PROPN
eurjchem-2675	317	61	,	,	PUNCT
eurjchem-2675	317	62	in	in	ADP
eurjchem-2675	317	63	)	)	PUNCT
eurjchem-2675	317	64	for	for	ADP
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eurjchem-2675	317	66	energy	energy	NOUN
eurjchem-2675	317	67	applications	application	NOUN
eurjchem-2675	317	68	.	.	PUNCT
eurjchem-2675	318	1	j.	j.	PROPN
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eurjchem-2675	319	1	organomet	organomet	VERB
eurjchem-2675	319	2	.	.	PUNCT
eurjchem-2675	320	1	polym	polym	NOUN
eurjchem-2675	320	2	.	.	PUNCT
eurjchem-2675	321	1	2024	2024	NUM
eurjchem-2675	321	2	,	,	PUNCT
eurjchem-2675	321	3	35	35	NUM
eurjchem-2675	321	4	(	(	PUNCT
eurjchem-2675	321	5	3	3	NUM
eurjchem-2675	321	6	)	)	PUNCT
eurjchem-2675	321	7	,	,	PUNCT
eurjchem-2675	321	8	1764–1778	1764–1778	NUM
eurjchem-2675	321	9	.	.	PUNCT
eurjchem-2675	322	1	[	[	X
eurjchem-2675	322	2	21	21	NUM
eurjchem-2675	322	3	]	]	PUNCT
eurjchem-2675	322	4	.	.	PUNCT
eurjchem-2675	323	1	akhtar	akhtar	PROPN
eurjchem-2675	323	2	,	,	PUNCT
eurjchem-2675	323	3	s.	s.	PROPN
eurjchem-2675	323	4	;	;	PUNCT
eurjchem-2675	323	5	alay	alay	PROPN
eurjchem-2675	323	6	-	-	PUNCT
eurjchem-2675	323	7	e	e	NOUN
eurjchem-2675	323	8	-	-	NOUN
eurjchem-2675	323	9	abbas	abbas	NOUN
eurjchem-2675	323	10	,	,	PUNCT
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eurjchem-2675	323	13	;	;	PUNCT
eurjchem-2675	323	14	abbas	abbas	PROPN
eurjchem-2675	323	15	,	,	PUNCT
eurjchem-2675	323	16	s.	s.	PROPN
eurjchem-2675	323	17	m.	m.	PROPN
eurjchem-2675	323	18	;	;	PUNCT
eurjchem-2675	323	19	arshad	arshad	VERB
eurjchem-2675	323	20	,	,	PUNCT
eurjchem-2675	323	21	m.	m.	NOUN
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eurjchem-2675	323	23	;	;	PUNCT
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eurjchem-2675	323	25	,	,	PUNCT
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eurjchem-2675	323	27	;	;	PUNCT
eurjchem-2675	323	28	amin	amin	PROPN
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eurjchem-2675	323	30	n.	n.	PROPN
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eurjchem-2675	323	37	and	and	CCONJ
eurjchem-2675	323	38	optical	optical	ADJ
eurjchem-2675	323	39	properties	property	NOUN
eurjchem-2675	323	40	of	of	ADP
eurjchem-2675	323	41	(	(	PUNCT
eurjchem-2675	323	42	mo	mo	PROPN
eurjchem-2675	323	43	,	,	PUNCT
eurjchem-2675	323	44	c	c	NOUN
eurjchem-2675	323	45	)	)	PUNCT
eurjchem-2675	323	46	codoped	codope	VERB
eurjchem-2675	323	47	bahfo3	bahfo3	NOUN
eurjchem-2675	323	48	for	for	ADP
eurjchem-2675	323	49	applications	application	NOUN
eurjchem-2675	323	50	in	in	ADP
eurjchem-2675	323	51	photocatalysis	photocatalysis	NOUN
eurjchem-2675	323	52	.	.	PUNCT
eurjchem-2675	324	1	journal	journal	PROPN
eurjchem-2675	324	2	of	of	ADP
eurjchem-2675	324	3	applied	apply	VERB
eurjchem-2675	324	4	physics	physics	NOUN
eurjchem-2675	324	5	2018	2018	NUM
eurjchem-2675	324	6	,	,	PUNCT
eurjchem-2675	324	7	123	123	NUM
eurjchem-2675	324	8	(	(	PUNCT
eurjchem-2675	324	9	16	16	NUM
eurjchem-2675	324	10	)	)	PUNCT
eurjchem-2675	324	11	.	.	PUNCT
eurjchem-2675	325	1	[	[	X
eurjchem-2675	325	2	22	22	NUM
eurjchem-2675	325	3	]	]	PUNCT
eurjchem-2675	325	4	.	.	PUNCT
eurjchem-2675	326	1	bouhemadou	bouhemadou	PROPN
eurjchem-2675	326	2	,	,	PUNCT
eurjchem-2675	326	3	a.	a.	NOUN
eurjchem-2675	326	4	;	;	PUNCT
eurjchem-2675	326	5	djabi	djabi	PROPN
eurjchem-2675	326	6	,	,	PUNCT
eurjchem-2675	326	7	f.	f.	PROPN
eurjchem-2675	326	8	;	;	PUNCT
eurjchem-2675	326	9	khenata	khenata	PROPN
eurjchem-2675	326	10	,	,	PUNCT
eurjchem-2675	326	11	r.	r.	PROPN
eurjchem-2675	326	12	first	first	PROPN
eurjchem-2675	326	13	principles	principle	NOUN
eurjchem-2675	326	14	study	study	NOUN
eurjchem-2675	326	15	of	of	ADP
eurjchem-2675	326	16	structural	structural	ADJ
eurjchem-2675	326	17	,	,	PUNCT
eurjchem-2675	326	18	elastic	elastic	ADJ
eurjchem-2675	326	19	,	,	PUNCT
eurjchem-2675	326	20	electronic	electronic	ADJ
eurjchem-2675	326	21	and	and	CCONJ
eurjchem-2675	326	22	optical	optical	ADJ
eurjchem-2675	326	23	properties	property	NOUN
eurjchem-2675	326	24	of	of	ADP
eurjchem-2675	326	25	the	the	DET
eurjchem-2675	326	26	cubic	cubic	ADJ
eurjchem-2675	326	27	perovskite	perovskite	NOUN
eurjchem-2675	326	28	bahfo3	bahfo3	NOUN
eurjchem-2675	326	29	.	.	PUNCT
eurjchem-2675	327	1	phys	phy	NOUN
eurjchem-2675	327	2	.	.	PUNCT
eurjchem-2675	328	1	lett	lett	PROPN
eurjchem-2675	328	2	.	.	PUNCT
eurjchem-2675	329	1	a	a	DET
eurjchem-2675	329	2	2008	2008	NUM
eurjchem-2675	329	3	,	,	PUNCT
eurjchem-2675	329	4	372	372	NUM
eurjchem-2675	329	5	(	(	PUNCT
eurjchem-2675	329	6	24	24	NUM
eurjchem-2675	329	7	)	)	PUNCT
eurjchem-2675	329	8	,	,	PUNCT
eurjchem-2675	329	9	4527–4531	4527–4531	NOUN
eurjchem-2675	329	10	.	.	PUNCT
eurjchem-2675	330	1	[	[	X
eurjchem-2675	330	2	23	23	NUM
eurjchem-2675	330	3	]	]	PUNCT
eurjchem-2675	330	4	.	.	PUNCT
eurjchem-2675	331	1	ahmed	ahmed	PROPN
eurjchem-2675	331	2	,	,	PUNCT
eurjchem-2675	331	3	s.	s.	PROPN
eurjchem-2675	331	4	;	;	PUNCT
eurjchem-2675	331	5	zulfiqar	zulfiqar	PROPN
eurjchem-2675	331	6	,	,	PUNCT
eurjchem-2675	331	7	w.	w.	PROPN
eurjchem-2675	331	8	;	;	PUNCT
eurjchem-2675	331	9	javed	javed	PROPN
eurjchem-2675	331	10	,	,	PUNCT
eurjchem-2675	331	11	f.	f.	PROPN
eurjchem-2675	331	12	;	;	PUNCT
eurjchem-2675	331	13	arshad	arshad	PROPN
eurjchem-2675	331	14	,	,	PUNCT
eurjchem-2675	331	15	h.	h.	PROPN
eurjchem-2675	331	16	;	;	PUNCT
eurjchem-2675	331	17	abbas	abbas	PROPN
eurjchem-2675	331	18	,	,	PUNCT
eurjchem-2675	331	19	g.	g.	PROPN
eurjchem-2675	331	20	;	;	PUNCT
eurjchem-2675	331	21	laref	laref	PROPN
eurjchem-2675	331	22	,	,	PUNCT
eurjchem-2675	331	23	a.	a.	NOUN
eurjchem-2675	331	24	;	;	PUNCT
eurjchem-2675	331	25	alaye	alaye	NOUN
eurjchem-2675	331	26	-	-	PUNCT
eurjchem-2675	331	27	abbas	abbas	PROPN
eurjchem-2675	331	28	,	,	PUNCT
eurjchem-2675	331	29	s.	s.	PROPN
eurjchem-2675	331	30	m.	m.	PROPN
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eurjchem-2675	331	32	first	first	ADJ
eurjchem-2675	331	33	-	-	PUNCT
eurjchem-2675	331	34	principles	principle	NOUN
eurjchem-2675	331	35	evaluation	evaluation	NOUN
eurjchem-2675	331	36	of	of	ADP
eurjchem-2675	331	37	structural	structural	ADJ
eurjchem-2675	331	38	,	,	PUNCT
eurjchem-2675	331	39	electronic	electronic	ADJ
eurjchem-2675	331	40	,	,	PUNCT
eurjchem-2675	331	41	optical	optical	ADJ
eurjchem-2675	331	42	and	and	CCONJ
eurjchem-2675	331	43	photocatalytic	photocatalytic	ADJ
eurjchem-2675	331	44	properties	property	NOUN
eurjchem-2675	331	45	of	of	ADP
eurjchem-2675	331	46	bahfo3	bahfo3	NOUN
eurjchem-2675	331	47	and	and	CCONJ
eurjchem-2675	331	48	srhfo3	srhfo3	NOUN
eurjchem-2675	331	49	perovskites	perovskite	NOUN
eurjchem-2675	331	50	.	.	PUNCT
eurjchem-2675	332	1	journal	journal	PROPN
eurjchem-2675	332	2	of	of	ADP
eurjchem-2675	332	3	alloys	alloy	NOUN
eurjchem-2675	332	4	and	and	CCONJ
eurjchem-2675	332	5	compounds	compound	NOUN
eurjchem-2675	332	6	2022	2022	NUM
eurjchem-2675	332	7	,	,	PUNCT
eurjchem-2675	332	8	892	892	NUM
eurjchem-2675	332	9	,	,	PUNCT
eurjchem-2675	332	10	162071	162071	NUM
eurjchem-2675	332	11	.	.	PUNCT
eurjchem-2675	333	1	[	[	X
eurjchem-2675	333	2	24	24	NUM
eurjchem-2675	333	3	]	]	PUNCT
eurjchem-2675	333	4	.	.	PUNCT
eurjchem-2675	334	1	feng	feng	PROPN
eurjchem-2675	334	2	,	,	PUNCT
eurjchem-2675	334	3	l.	l.	PROPN
eurjchem-2675	334	4	;	;	PUNCT
eurjchem-2675	334	5	liu	liu	PROPN
eurjchem-2675	334	6	,	,	PUNCT
eurjchem-2675	334	7	z.	z.	PROPN
eurjchem-2675	334	8	;	;	PUNCT
eurjchem-2675	334	9	liu	liu	PROPN
eurjchem-2675	334	10	,	,	PUNCT
eurjchem-2675	334	11	q.	q.	PROPN
eurjchem-2675	334	12	;	;	PUNCT
eurjchem-2675	334	13	tian	tian	PROPN
eurjchem-2675	334	14	,	,	PUNCT
eurjchem-2675	334	15	h.	h.	PROPN
eurjchem-2675	334	16	first	first	ADJ
eurjchem-2675	334	17	-	-	PUNCT
eurjchem-2675	334	18	principles	principle	NOUN
eurjchem-2675	334	19	study	study	NOUN
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eurjchem-2675	334	21	electronic	electronic	ADJ
eurjchem-2675	334	22	and	and	CCONJ
eurjchem-2675	334	23	optical	optical	ADJ
eurjchem-2675	334	24	properties	property	NOUN
eurjchem-2675	334	25	of	of	ADP
eurjchem-2675	334	26	pbnm	pbnm	ADJ
eurjchem-2675	334	27	orthorhombic	orthorhombic	NOUN
eurjchem-2675	334	28	srhfo3	srhfo3	NOUN
eurjchem-2675	334	29	.	.	PUNCT
eurjchem-2675	335	1	computational	computational	ADJ
eurjchem-2675	335	2	materials	material	NOUN
eurjchem-2675	335	3	science	science	NOUN
eurjchem-2675	335	4	2010	2010	NUM
eurjchem-2675	335	5	,	,	PUNCT
eurjchem-2675	335	6	50	50	NUM
eurjchem-2675	335	7	(	(	PUNCT
eurjchem-2675	335	8	2	2	NUM
eurjchem-2675	335	9	)	)	PUNCT
eurjchem-2675	335	10	,	,	PUNCT
eurjchem-2675	335	11	454–458	454–458	NUM
eurjchem-2675	335	12	.	.	PUNCT
eurjchem-2675	336	1	[	[	X
eurjchem-2675	336	2	25	25	NUM
eurjchem-2675	336	3	]	]	PUNCT
eurjchem-2675	336	4	.	.	PUNCT
eurjchem-2675	337	1	muscat	muscat	PROPN
eurjchem-2675	337	2	,	,	PUNCT
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eurjchem-2675	337	4	;	;	PUNCT
eurjchem-2675	337	5	wander	wander	PROPN
eurjchem-2675	337	6	,	,	PUNCT
eurjchem-2675	337	7	a.	a.	NOUN
eurjchem-2675	337	8	;	;	PUNCT
eurjchem-2675	337	9	harrison	harrison	PROPN
eurjchem-2675	337	10	,	,	PUNCT
eurjchem-2675	337	11	n.	n.	NOUN
eurjchem-2675	337	12	m.	m.	NOUN
eurjchem-2675	337	13	on	on	ADP
eurjchem-2675	337	14	the	the	DET
eurjchem-2675	337	15	prediction	prediction	NOUN
eurjchem-2675	337	16	of	of	ADP
eurjchem-2675	337	17	band	band	NOUN
eurjchem-2675	337	18	gaps	gap	NOUN
eurjchem-2675	337	19	from	from	ADP
eurjchem-2675	337	20	hybrid	hybrid	ADJ
eurjchem-2675	337	21	functional	functional	ADJ
eurjchem-2675	337	22	theory	theory	NOUN
eurjchem-2675	337	23	.	.	PUNCT
eurjchem-2675	338	1	chem	chem	NOUN
eurjchem-2675	338	2	.	.	PUNCT
eurjchem-2675	339	1	phys	phy	NOUN
eurjchem-2675	339	2	.	.	PUNCT
eurjchem-2675	340	1	lett	lett	PROPN
eurjchem-2675	340	2	.	.	PUNCT
eurjchem-2675	341	1	2001	2001	NUM
eurjchem-2675	341	2	,	,	PUNCT
eurjchem-2675	341	3	342	342	NUM
eurjchem-2675	341	4	,	,	PUNCT
eurjchem-2675	341	5	397–401	397–401	NUM
eurjchem-2675	341	6	.	.	PUNCT
eurjchem-2675	342	1	[	[	X
eurjchem-2675	342	2	26	26	NUM
eurjchem-2675	342	3	]	]	PUNCT
eurjchem-2675	342	4	.	.	PUNCT
eurjchem-2675	343	1	islam	islam	PROPN
eurjchem-2675	343	2	,	,	PUNCT
eurjchem-2675	343	3	j.	j.	PROPN
eurjchem-2675	343	4	;	;	PUNCT
eurjchem-2675	343	5	hossain	hossain	PROPN
eurjchem-2675	343	6	,	,	PUNCT
eurjchem-2675	343	7	a.	a.	PROPN
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eurjchem-2675	343	11	gap	gap	NOUN
eurjchem-2675	343	12	and	and	CCONJ
eurjchem-2675	343	13	enhanced	enhance	VERB
eurjchem-2675	343	14	visible	visible	ADJ
eurjchem-2675	343	15	-	-	PUNCT
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eurjchem-2675	343	22	non	non	ADJ
eurjchem-2675	343	23	-	-	ADJ
eurjchem-2675	343	24	toxic	toxic	ADJ
eurjchem-2675	343	25	cssncl3	cssncl3	NOUN
eurjchem-2675	343	26	metal	metal	NOUN
eurjchem-2675	343	27	halides	halide	NOUN
eurjchem-2675	343	28	for	for	ADP
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eurjchem-2675	343	30	optoelectronic	optoelectronic	ADJ
eurjchem-2675	343	31	applications	application	NOUN
eurjchem-2675	343	32	.	.	PUNCT
eurjchem-2675	344	1	rsc	rsc	PROPN
eurjchem-2675	344	2	.	.	PUNCT
eurjchem-2675	345	1	adv	adv	PROPN
eurjchem-2675	345	2	.	.	PROPN
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eurjchem-2675	345	4	,	,	PUNCT
eurjchem-2675	345	5	10	10	NUM
eurjchem-2675	345	6	(	(	PUNCT
eurjchem-2675	345	7	13	13	NUM
eurjchem-2675	345	8	)	)	PUNCT
eurjchem-2675	345	9	,	,	PUNCT
eurjchem-2675	345	10	7817	7817	NUM
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eurjchem-2675	346	1	[	[	X
eurjchem-2675	346	2	27	27	NUM
eurjchem-2675	346	3	]	]	PUNCT
eurjchem-2675	346	4	.	.	PUNCT
eurjchem-2675	347	1	munshi	munshi	PROPN
eurjchem-2675	347	2	,	,	PUNCT
eurjchem-2675	347	3	m.	m.	PROPN
eurjchem-2675	347	4	r.	r.	PROPN
eurjchem-2675	347	5	;	;	PUNCT
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eurjchem-2675	347	7	,	,	PUNCT
eurjchem-2675	347	8	m.	m.	NOUN
eurjchem-2675	347	9	a.	a.	PROPN
eurjchem-2675	347	10	;	;	PUNCT
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eurjchem-2675	347	12	,	,	PUNCT
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eurjchem-2675	347	27	bezro3	bezro3	NOUN
eurjchem-2675	347	28	:	:	PUNCT
eurjchem-2675	347	29	a	a	DET
eurjchem-2675	347	30	dft	dft	PROPN
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eurjchem-2675	347	32	.	.	PUNCT
eurjchem-2675	348	1	phys	phy	NOUN
eurjchem-2675	348	2	.	.	PUNCT
eurjchem-2675	349	1	scr	scr	PROPN
eurjchem-2675	349	2	.	.	NOUN
eurjchem-2675	349	3	2024	2024	NUM
eurjchem-2675	349	4	,	,	PUNCT
eurjchem-2675	349	5	99	99	NUM
eurjchem-2675	349	6	(	(	PUNCT
eurjchem-2675	349	7	8)	8)	NUM
eurjchem-2675	349	8	,	,	PUNCT
eurjchem-2675	349	9	085904	085904	NUM
eurjchem-2675	349	10	.	.	PUNCT
eurjchem-2675	350	1	[	[	X
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eurjchem-2675	350	3	]	]	PUNCT
eurjchem-2675	350	4	.	.	PUNCT
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eurjchem-2675	351	5	;	;	PUNCT
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eurjchem-2675	351	7	,	,	PUNCT
eurjchem-2675	351	8	m.	m.	PROPN
eurjchem-2675	351	9	r.	r.	PROPN
eurjchem-2675	351	10	;	;	PUNCT
eurjchem-2675	351	11	rana	rana	PROPN
eurjchem-2675	351	12	,	,	PUNCT
eurjchem-2675	351	13	m.	m.	PROPN
eurjchem-2675	351	14	z.	z.	PROPN
eurjchem-2675	351	15	;	;	PUNCT
eurjchem-2675	351	16	al	al	PROPN
eurjchem-2675	351	17	masud	masud	PROPN
eurjchem-2675	351	18	,	,	PUNCT
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eurjchem-2675	351	23	geometrical	geometrical	ADJ
eurjchem-2675	351	24	,	,	PUNCT
eurjchem-2675	351	25	mechanical	mechanical	ADJ
eurjchem-2675	351	26	,	,	PUNCT
eurjchem-2675	351	27	electronic	electronic	ADJ
eurjchem-2675	351	28	,	,	PUNCT
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eurjchem-2675	351	38	dft	dft	PROPN
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eurjchem-2675	351	40	.	.	PUNCT
eurjchem-2675	352	1	computational	computational	ADJ
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eurjchem-2675	352	4	.	.	PUNCT
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eurjchem-2675	353	2	,	,	PUNCT
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eurjchem-2675	353	4	,	,	PUNCT
eurjchem-2675	353	5	e00832	e00832	NOUN
eurjchem-2675	353	6	.	.	PUNCT
eurjchem-2675	354	1	[	[	X
eurjchem-2675	354	2	29	29	NUM
eurjchem-2675	354	3	]	]	PUNCT
eurjchem-2675	354	4	.	.	PUNCT
eurjchem-2675	355	1	md	md	PROPN
eurjchem-2675	355	2	.	.	PROPN
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eurjchem-2675	355	4	munshi	munshi	PROPN
eurjchem-2675	355	5	;	;	PUNCT
eurjchem-2675	355	6	md	md	PROPN
eurjchem-2675	355	7	.	.	PROPN
eurjchem-2675	355	8	zuel	zuel	PROPN
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eurjchem-2675	355	10	;	;	PUNCT
eurjchem-2675	355	11	sapan	sapan	PROPN
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eurjchem-2675	355	13	sen	sen	PROPN
eurjchem-2675	355	14	;	;	PUNCT
eurjchem-2675	355	15	md	md	PROPN
eurjchem-2675	355	16	.	.	PROPN
eurjchem-2675	355	17	ruhul	ruhul	PROPN
eurjchem-2675	355	18	amin	amin	PROPN
eurjchem-2675	355	19	foisal	foisal	PROPN
eurjchem-2675	355	20	;	;	PUNCT
eurjchem-2675	355	21	md	md	PROPN
eurjchem-2675	355	22	.	.	PROPN
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eurjchem-2675	355	29	structural	structural	ADJ
eurjchem-2675	355	30	,	,	PUNCT
eurjchem-2675	355	31	electronic	electronic	ADJ
eurjchem-2675	355	32	,	,	PUNCT
eurjchem-2675	355	33	optical	optical	ADJ
eurjchem-2675	355	34	and	and	CCONJ
eurjchem-2675	355	35	thermoelectric	thermoelectric	ADJ
eurjchem-2675	355	36	properties	property	NOUN
eurjchem-2675	355	37	of	of	ADP
eurjchem-2675	355	38	gaago2	gaago2	PROPN
eurjchem-2675	355	39	based	base	VERB
eurjchem-2675	355	40	on	on	ADP
eurjchem-2675	355	41	density	density	NOUN
eurjchem-2675	355	42	functional	functional	ADJ
eurjchem-2675	355	43	theory	theory	NOUN
eurjchem-2675	355	44	(	(	PUNCT
eurjchem-2675	355	45	dft	dft	PROPN
eurjchem-2675	355	46	):	):	PUNCT
eurjchem-2675	355	47	two	two	NUM
eurjchem-2675	355	48	approach	approach	NOUN
eurjchem-2675	355	49	.	.	PUNCT
eurjchem-2675	356	1	world	world	NOUN
eurjchem-2675	356	2	.	.	PUNCT
eurjchem-2675	357	1	j.	j.	PROPN
eurjchem-2675	357	2	adv	adv	PROPN
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eurjchem-2675	358	1	res	res	PROPN
eurjchem-2675	358	2	.	.	PUNCT
eurjchem-2675	359	1	rev	rev	PROPN
eurjchem-2675	359	2	.	.	PROPN
eurjchem-2675	359	3	2022	2022	NUM
eurjchem-2675	359	4	,	,	PUNCT
eurjchem-2675	359	5	13	13	NUM
eurjchem-2675	359	6	(	(	PUNCT
eurjchem-2675	359	7	2	2	NUM
eurjchem-2675	359	8	)	)	PUNCT
eurjchem-2675	359	9	,	,	PUNCT
eurjchem-2675	359	10	279–291	279–291	NUM
eurjchem-2675	359	11	.	.	PUNCT
eurjchem-2675	360	1	[	[	X
eurjchem-2675	360	2	30	30	NUM
eurjchem-2675	360	3	]	]	PUNCT
eurjchem-2675	360	4	.	.	PUNCT
eurjchem-2675	361	1	sohail	sohail	PROPN
eurjchem-2675	361	2	,	,	PUNCT
eurjchem-2675	361	3	m.	m.	NOUN
eurjchem-2675	361	4	;	;	PUNCT
eurjchem-2675	361	5	husain	husain	PROPN
eurjchem-2675	361	6	,	,	PUNCT
eurjchem-2675	361	7	m.	m.	NOUN
eurjchem-2675	361	8	;	;	PUNCT
eurjchem-2675	361	9	rahman	rahman	PROPN
eurjchem-2675	361	10	,	,	PUNCT
eurjchem-2675	361	11	n.	n.	NOUN
eurjchem-2675	361	12	;	;	PUNCT
eurjchem-2675	361	13	althubeiti	althubeiti	PROPN
eurjchem-2675	361	14	,	,	PUNCT
eurjchem-2675	361	15	k.	k.	PROPN
eurjchem-2675	361	16	;	;	PUNCT
eurjchem-2675	361	17	algethami	algethami	NOUN
eurjchem-2675	361	18	,	,	PUNCT
eurjchem-2675	361	19	m.	m.	NOUN
eurjchem-2675	361	20	;	;	PUNCT
eurjchem-2675	361	21	khan	khan	PROPN
eurjchem-2675	361	22	,	,	PUNCT
eurjchem-2675	361	23	a.	a.	NOUN
eurjchem-2675	361	24	a.	a.	PROPN
eurjchem-2675	361	25	;	;	PUNCT
eurjchem-2675	361	26	iqbal	iqbal	PROPN
eurjchem-2675	361	27	,	,	PUNCT
eurjchem-2675	361	28	a.	a.	PROPN
eurjchem-2675	361	29	;	;	PUNCT
eurjchem-2675	361	30	ullah	ullah	PROPN
eurjchem-2675	361	31	,	,	PUNCT
eurjchem-2675	361	32	a.	a.	PROPN
eurjchem-2675	361	33	;	;	PUNCT
eurjchem-2675	361	34	khan	khan	PROPN
eurjchem-2675	361	35	,	,	PUNCT
eurjchem-2675	361	36	a.	a.	PROPN
eurjchem-2675	361	37	;	;	PUNCT
eurjchem-2675	361	38	khan	khan	PROPN
eurjchem-2675	361	39	,	,	PUNCT
eurjchem-2675	361	40	r.	r.	PROPN
eurjchem-2675	361	41	first	first	ADJ
eurjchem-2675	361	42	-	-	PUNCT
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eurjchem-2675	361	47	,	,	PUNCT
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eurjchem-2675	361	49	,	,	PUNCT
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eurjchem-2675	361	52	optical	optical	ADJ
eurjchem-2675	361	53	properties	property	NOUN
eurjchem-2675	361	54	of	of	ADP
eurjchem-2675	361	55	the	the	DET
eurjchem-2675	361	56	fluoroperovskite	fluoroperovskite	PROPN
eurjchem-2675	361	57	tllf3	tllf3	NOUN
eurjchem-2675	361	58	(	(	PUNCT
eurjchem-2675	361	59	l	l	NOUN
eurjchem-2675	361	60	=	=	SYM
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eurjchem-2675	361	62	,	,	PUNCT
eurjchem-2675	361	63	cd	cd	PROPN
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eurjchem-2675	361	65	compounds	compound	NOUN
eurjchem-2675	361	66	for	for	ADP
eurjchem-2675	361	67	optoelectronic	optoelectronic	ADJ
eurjchem-2675	361	68	applications	application	NOUN
eurjchem-2675	361	69	.	.	PUNCT
eurjchem-2675	362	1	rsc	rsc	PROPN
eurjchem-2675	362	2	adv	adv	PROPN
eurjchem-2675	362	3	.	.	PROPN
eurjchem-2675	362	4	2022	2022	NUM
eurjchem-2675	362	5	,	,	PUNCT
eurjchem-2675	362	6	12	12	NUM
eurjchem-2675	362	7	,	,	PUNCT
eurjchem-2675	362	8	7002–7008	7002–7008	NUM
eurjchem-2675	362	9	.	.	PUNCT
eurjchem-2675	363	1	[	[	X
eurjchem-2675	363	2	31	31	NUM
eurjchem-2675	363	3	]	]	PUNCT
eurjchem-2675	363	4	.	.	PUNCT
eurjchem-2675	364	1	munshi	munshi	PROPN
eurjchem-2675	364	2	,	,	PUNCT
eurjchem-2675	364	3	m.	m.	PROPN
eurjchem-2675	364	4	r.	r.	PROPN
eurjchem-2675	364	5	;	;	PUNCT
eurjchem-2675	364	6	sen	sen	PROPN
eurjchem-2675	364	7	,	,	PUNCT
eurjchem-2675	364	8	s.	s.	PROPN
eurjchem-2675	364	9	k.	k.	PROPN
eurjchem-2675	364	10	;	;	PUNCT
eurjchem-2675	364	11	rana	rana	PROPN
eurjchem-2675	364	12	,	,	PUNCT
eurjchem-2675	364	13	m.	m.	PROPN
eurjchem-2675	364	14	z.	z.	PROPN
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eurjchem-2675	364	16	,	,	PUNCT
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eurjchem-2675	364	18	,	,	PUNCT
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eurjchem-2675	364	21	photocatalytic	photocatalytic	ADJ
eurjchem-2675	364	22	properties	property	NOUN
eurjchem-2675	364	23	of	of	ADP
eurjchem-2675	364	24	gaago2	gaago2	PROPN
eurjchem-2675	364	25	and	and	CCONJ
eurjchem-2675	364	26	alago2	alago2	PROPN
eurjchem-2675	364	27	compounds	compound	NOUN
eurjchem-2675	364	28	scrutinized	scrutinize	VERB
eurjchem-2675	364	29	via	via	ADP
eurjchem-2675	364	30	a	a	DET
eurjchem-2675	364	31	systemic	systemic	ADJ
eurjchem-2675	364	32	hybrid	hybrid	ADJ
eurjchem-2675	364	33	dft	dft	PROPN
eurjchem-2675	364	34	.	.	PROPN
eurjchem-2675	364	35	computational	computational	ADJ
eurjchem-2675	364	36	condensed	condense	VERB
eurjchem-2675	364	37	matter	matter	NOUN
eurjchem-2675	364	38	.	.	PUNCT
eurjchem-2675	365	1	2023	2023	NUM
eurjchem-2675	365	2	,	,	PUNCT
eurjchem-2675	365	3	34	34	NUM
eurjchem-2675	365	4	,	,	PUNCT
eurjchem-2675	365	5	e00778	e00778	PROPN
eurjchem-2675	365	6	.	.	PUNCT
eurjchem-2675	366	1	[	[	X
eurjchem-2675	366	2	32	32	NUM
eurjchem-2675	366	3	]	]	PUNCT
eurjchem-2675	366	4	.	.	PUNCT
eurjchem-2675	367	1	rana	rana	PROPN
eurjchem-2675	367	2	,	,	PUNCT
eurjchem-2675	367	3	m.	m.	PROPN
eurjchem-2675	367	4	z.	z.	PROPN
eurjchem-2675	367	5	;	;	PUNCT
eurjchem-2675	367	6	munshi	munshi	PROPN
eurjchem-2675	367	7	,	,	PUNCT
eurjchem-2675	367	8	m.	m.	NOUN
eurjchem-2675	367	9	r.	r.	PROPN
eurjchem-2675	367	10	;	;	PUNCT
eurjchem-2675	367	11	al	al	PROPN
eurjchem-2675	367	12	masud	masud	PROPN
eurjchem-2675	367	13	,	,	PUNCT
eurjchem-2675	367	14	m.	m.	NOUN
eurjchem-2675	367	15	;	;	PUNCT
eurjchem-2675	367	16	zahan	zahan	ADV
eurjchem-2675	367	17	,	,	PUNCT
eurjchem-2675	367	18	m.	m.	PROPN
eurjchem-2675	367	19	s.	s.	PROPN
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eurjchem-2675	367	21	,	,	PUNCT
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eurjchem-2675	367	23	,	,	PUNCT
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eurjchem-2675	367	28	of	of	ADP
eurjchem-2675	367	29	alauo2	alauo2	PROPN
eurjchem-2675	367	30	and	and	CCONJ
eurjchem-2675	367	31	alau094fe006o2	alau094fe006o2	DET
eurjchem-2675	367	32	compounds	compound	NOUN
eurjchem-2675	367	33	scrutinized	scrutinize	VERB
eurjchem-2675	367	34	by	by	ADP
eurjchem-2675	367	35	density	density	NOUN
eurjchem-2675	367	36	functional	functional	ADJ
eurjchem-2675	367	37	theory	theory	NOUN
eurjchem-2675	367	38	(	(	PUNCT
eurjchem-2675	367	39	dft	dft	PROPN
eurjchem-2675	367	40	)	)	PUNCT
eurjchem-2675	367	41	.	.	PUNCT
eurjchem-2675	368	1	heliyon	heliyon	NOUN
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eurjchem-2675	368	3	,	,	PUNCT
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eurjchem-2675	368	5	(	(	PUNCT
eurjchem-2675	368	6	11	11	NUM
eurjchem-2675	368	7	)	)	PUNCT
eurjchem-2675	368	8	,	,	PUNCT
eurjchem-2675	368	9	e21405	e21405	NOUN
eurjchem-2675	368	10	.	.	PUNCT
eurjchem-2675	369	1	[	[	X
eurjchem-2675	369	2	33	33	NUM
eurjchem-2675	369	3	]	]	PUNCT
eurjchem-2675	369	4	.	.	PUNCT
eurjchem-2675	370	1	chen	chen	PROPN
eurjchem-2675	370	2	,	,	PUNCT
eurjchem-2675	370	3	x.	x.	PROPN
eurjchem-2675	370	4	;	;	PUNCT
eurjchem-2675	370	5	zeng	zeng	PROPN
eurjchem-2675	370	6	,	,	PUNCT
eurjchem-2675	370	7	m.	m.	NOUN
eurjchem-2675	370	8	;	;	PUNCT
eurjchem-2675	370	9	wang	wang	PROPN
eurjchem-2675	370	10	,	,	PUNCT
eurjchem-2675	370	11	r.	r.	PROPN
eurjchem-2675	370	12	;	;	PUNCT
eurjchem-2675	370	13	mo	mo	PROPN
eurjchem-2675	370	14	,	,	PUNCT
eurjchem-2675	370	15	z.	z.	PROPN
eurjchem-2675	370	16	;	;	PUNCT
eurjchem-2675	370	17	tang	tang	PROPN
eurjchem-2675	370	18	,	,	PUNCT
eurjchem-2675	370	19	b.	b.	PROPN
eurjchem-2675	370	20	;	;	PUNCT
eurjchem-2675	370	21	peng	peng	PROPN
eurjchem-2675	370	22	,	,	PUNCT
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eurjchem-2675	370	24	;	;	PUNCT
eurjchem-2675	370	25	ding	ding	PROPN
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eurjchem-2675	370	31	(	(	PUNCT
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eurjchem-2675	370	37	d88	d88	NOUN
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eurjchem-2675	370	39	:	:	PUNCT
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eurjchem-2675	370	41	properties	property	NOUN
eurjchem-2675	370	42	and	and	CCONJ
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eurjchem-2675	371	5	,	,	PUNCT
eurjchem-2675	371	6	54	54	NUM
eurjchem-2675	371	7	,	,	PUNCT
eurjchem-2675	371	8	287–292	287–292	NUM
eurjchem-2675	371	9	.	.	PUNCT
eurjchem-2675	372	1	[	[	X
eurjchem-2675	372	2	34	34	NUM
eurjchem-2675	372	3	]	]	PUNCT
eurjchem-2675	372	4	.	.	PUNCT
eurjchem-2675	373	1	rahman	rahman	PROPN
eurjchem-2675	373	2	,	,	PUNCT
eurjchem-2675	373	3	n.	n.	PROPN
eurjchem-2675	373	4	;	;	PUNCT
eurjchem-2675	373	5	husain	husain	PROPN
eurjchem-2675	373	6	,	,	PUNCT
eurjchem-2675	373	7	m.	m.	NOUN
eurjchem-2675	373	8	;	;	PUNCT
eurjchem-2675	373	9	yang	yang	PROPN
eurjchem-2675	373	10	,	,	PUNCT
eurjchem-2675	373	11	j.	j.	PROPN
eurjchem-2675	373	12	;	;	PUNCT
eurjchem-2675	373	13	sajjad	sajjad	PROPN
eurjchem-2675	373	14	,	,	PUNCT
eurjchem-2675	373	15	m.	m.	NOUN
eurjchem-2675	373	16	;	;	PUNCT
eurjchem-2675	373	17	murtaza	murtaza	PROPN
eurjchem-2675	373	18	,	,	PUNCT
eurjchem-2675	373	19	g.	g.	PROPN
eurjchem-2675	373	20	;	;	PUNCT
eurjchem-2675	373	21	ul	ul	PROPN
eurjchem-2675	373	22	haq	haq	PROPN
eurjchem-2675	373	23	,	,	PUNCT
eurjchem-2675	373	24	m.	m.	NOUN
eurjchem-2675	373	25	;	;	PUNCT
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eurjchem-2675	373	29	;	;	PUNCT
eurjchem-2675	373	30	zulfiqar	zulfiqar	NUM
eurjchem-2675	373	31	;	;	PUNCT
eurjchem-2675	373	32	rauf	rauf	PROPN
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eurjchem-2675	373	35	;	;	PUNCT
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eurjchem-2675	373	39	;	;	PUNCT
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eurjchem-2675	373	46	m.	m.	NOUN
eurjchem-2675	373	47	;	;	PUNCT
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eurjchem-2675	373	58	,	,	PUNCT
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eurjchem-2675	373	68	:	:	PUNCT
eurjchem-2675	373	69	(	(	PUNCT
eurjchem-2675	373	70	cdxf3	cdxf3	NOUN
eurjchem-2675	373	71	,	,	PUNCT
eurjchem-2675	373	72	x	x	NOUN
eurjchem-2675	373	73	 	 	SPACE
eurjchem-2675	373	74	=	=	NOUN
eurjchem-2675	373	75	 	 	SPACE
eurjchem-2675	373	76	y	y	PROPN
eurjchem-2675	373	77	,	,	PUNCT
eurjchem-2675	373	78	bi	bi	NOUN
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eurjchem-2675	373	80	.	.	PUNCT
eurjchem-2675	374	1	eur	eur	PROPN
eurjchem-2675	374	2	.	.	PUNCT
eurjchem-2675	375	1	phys	phy	NOUN
eurjchem-2675	375	2	.	.	PUNCT
eurjchem-2675	376	1	j.	j.	PROPN
eurjchem-2675	376	2	plus	plus	PROPN
eurjchem-2675	376	3	.	.	PROPN
eurjchem-2675	376	4	2021	2021	NUM
eurjchem-2675	376	5	,	,	PUNCT
eurjchem-2675	376	6	136	136	NUM
eurjchem-2675	376	7	(	(	PUNCT
eurjchem-2675	376	8	3	3	NUM
eurjchem-2675	376	9	)	)	PUNCT
eurjchem-2675	376	10	.	.	PUNCT
eurjchem-2675	377	1	[	[	X
eurjchem-2675	377	2	35	35	NUM
eurjchem-2675	377	3	]	]	SYM
eurjchem-2675	377	4	.	.	PUNCT
eurjchem-2675	378	1	sohail	sohail	PROPN
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eurjchem-2675	378	4	;	;	PUNCT
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eurjchem-2675	378	6	,	,	PUNCT
eurjchem-2675	378	7	m.	m.	NOUN
eurjchem-2675	378	8	;	;	PUNCT
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eurjchem-2675	378	10	,	,	PUNCT
eurjchem-2675	378	11	n.	n.	NOUN
eurjchem-2675	378	12	;	;	PUNCT
eurjchem-2675	378	13	althubeiti	althubeiti	PROPN
eurjchem-2675	378	14	,	,	PUNCT
eurjchem-2675	378	15	k.	k.	PROPN
eurjchem-2675	378	16	;	;	PUNCT
eurjchem-2675	378	17	algethami	algethami	NOUN
eurjchem-2675	378	18	,	,	PUNCT
eurjchem-2675	378	19	m.	m.	NOUN
eurjchem-2675	378	20	;	;	PUNCT
eurjchem-2675	378	21	khan	khan	PROPN
eurjchem-2675	378	22	,	,	PUNCT
eurjchem-2675	378	23	a.	a.	NOUN
eurjchem-2675	378	24	a.	a.	PROPN
eurjchem-2675	378	25	;	;	PUNCT
eurjchem-2675	378	26	iqbal	iqbal	PROPN
eurjchem-2675	378	27	,	,	PUNCT
eurjchem-2675	378	28	a.	a.	PROPN
eurjchem-2675	378	29	;	;	PUNCT
eurjchem-2675	378	30	ullah	ullah	PROPN
eurjchem-2675	378	31	,	,	PUNCT
eurjchem-2675	378	32	a.	a.	PROPN
eurjchem-2675	378	33	;	;	PUNCT
eurjchem-2675	378	34	khan	khan	PROPN
eurjchem-2675	378	35	,	,	PUNCT
eurjchem-2675	378	36	a.	a.	PROPN
eurjchem-2675	378	37	;	;	PUNCT
eurjchem-2675	378	38	khan	khan	PROPN
eurjchem-2675	378	39	,	,	PUNCT
eurjchem-2675	378	40	r.	r.	PROPN
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eurjchem-2675	378	42	-	-	PUNCT
eurjchem-2675	378	43	principal	principal	NOUN
eurjchem-2675	378	44	investigations	investigation	NOUN
eurjchem-2675	378	45	of	of	ADP
eurjchem-2675	378	46	electronic	electronic	ADJ
eurjchem-2675	378	47	,	,	PUNCT
eurjchem-2675	378	48	structural	structural	ADJ
eurjchem-2675	378	49	,	,	PUNCT
eurjchem-2675	378	50	elastic	elastic	ADJ
eurjchem-2675	378	51	and	and	CCONJ
eurjchem-2675	378	52	optical	optical	ADJ
eurjchem-2675	378	53	properties	property	NOUN
eurjchem-2675	378	54	of	of	ADP
eurjchem-2675	378	55	the	the	DET
eurjchem-2675	378	56	fluoroperovskite	fluoroperovskite	PROPN
eurjchem-2675	378	57	tllf3	tllf3	NOUN
eurjchem-2675	378	58	(	(	PUNCT
eurjchem-2675	378	59	l	l	NOUN
eurjchem-2675	378	60	=	=	SYM
eurjchem-2675	378	61	ca	ca	PROPN
eurjchem-2675	378	62	,	,	PUNCT
eurjchem-2675	378	63	cd	cd	PROPN
eurjchem-2675	378	64	)	)	PUNCT
eurjchem-2675	378	65	compounds	compound	NOUN
eurjchem-2675	378	66	for	for	ADP
eurjchem-2675	378	67	optoelectronic	optoelectronic	ADJ
eurjchem-2675	378	68	applications	application	NOUN
eurjchem-2675	378	69	.	.	PUNCT
eurjchem-2675	379	1	rsc	rsc	PROPN
eurjchem-2675	379	2	.	.	PUNCT
eurjchem-2675	380	1	adv	adv	PROPN
eurjchem-2675	380	2	.	.	PUNCT
eurjchem-2675	380	3	2022	2022	NUM
eurjchem-2675	380	4	,	,	PUNCT
eurjchem-2675	380	5	12	12	NUM
eurjchem-2675	380	6	(	(	PUNCT
eurjchem-2675	380	7	12	12	NUM
eurjchem-2675	380	8	)	)	PUNCT
eurjchem-2675	380	9	,	,	PUNCT
eurjchem-2675	380	10	7002–7008	7002–7008	NUM
eurjchem-2675	380	11	.	.	PUNCT
eurjchem-2675	381	1	[	[	X
eurjchem-2675	381	2	36	36	NUM
eurjchem-2675	381	3	]	]	PUNCT
eurjchem-2675	381	4	.	.	PUNCT
eurjchem-2675	382	1	al	al	PROPN
eurjchem-2675	382	2	-	-	PUNCT
eurjchem-2675	382	3	qaisi	qaisi	PROPN
eurjchem-2675	382	4	,	,	PUNCT
eurjchem-2675	382	5	s.	s.	PROPN
eurjchem-2675	382	6	;	;	PUNCT
eurjchem-2675	382	7	mebed	mebe	VERB
eurjchem-2675	382	8	,	,	PUNCT
eurjchem-2675	382	9	a.	a.	NOUN
eurjchem-2675	382	10	m.	m.	NOUN
eurjchem-2675	382	11	;	;	PUNCT
eurjchem-2675	382	12	mushtaq	mushtaq	PROPN
eurjchem-2675	382	13	,	,	PUNCT
eurjchem-2675	382	14	m.	m.	NOUN
eurjchem-2675	382	15	;	;	PUNCT
eurjchem-2675	382	16	rai	rai	PROPN
eurjchem-2675	382	17	,	,	PUNCT
eurjchem-2675	382	18	d.	d.	PROPN
eurjchem-2675	382	19	p.	p.	PROPN
eurjchem-2675	382	20	;	;	PUNCT
eurjchem-2675	382	21	alrebdi	alrebdi	PROPN
eurjchem-2675	382	22	,	,	PUNCT
eurjchem-2675	382	23	t.	t.	NOUN
eurjchem-2675	382	24	a.	a.	NOUN
eurjchem-2675	382	25	;	;	PUNCT
eurjchem-2675	382	26	sheikh	sheikh	PROPN
eurjchem-2675	382	27	,	,	PUNCT
eurjchem-2675	382	28	r.	r.	PROPN
eurjchem-2675	382	29	a.	a.	PROPN
eurjchem-2675	382	30	;	;	PUNCT
eurjchem-2675	382	31	rached	rache	VERB
eurjchem-2675	382	32	,	,	PUNCT
eurjchem-2675	382	33	h.	h.	PROPN
eurjchem-2675	382	34	;	;	PUNCT
eurjchem-2675	382	35	ahmed	ahmed	PROPN
eurjchem-2675	382	36	,	,	PUNCT
eurjchem-2675	382	37	r.	r.	PROPN
eurjchem-2675	382	38	;	;	PUNCT
eurjchem-2675	382	39	faizan	faizan	PROPN
eurjchem-2675	382	40	,	,	PUNCT
eurjchem-2675	382	41	m.	m.	NOUN
eurjchem-2675	382	42	;	;	PUNCT
eurjchem-2675	382	43	bouzgarrou	bouzgarrou	PROPN
eurjchem-2675	382	44	,	,	PUNCT
eurjchem-2675	382	45	s.	s.	PROPN
eurjchem-2675	382	46	;	;	PUNCT
eurjchem-2675	382	47	javed	javed	PROPN
eurjchem-2675	382	48	,	,	PUNCT
eurjchem-2675	382	49	m.	m.	NOUN
eurjchem-2675	382	50	a.	a.	PROPN
eurjchem-2675	382	51	a	a	DET
eurjchem-2675	382	52	theoretical	theoretical	ADJ
eurjchem-2675	382	53	investigation	investigation	NOUN
eurjchem-2675	382	54	of	of	ADP
eurjchem-2675	382	55	the	the	DET
eurjchem-2675	382	56	lead	lead	NOUN
eurjchem-2675	382	57	-	-	PUNCT
eurjchem-2675	382	58	free	free	ADJ
eurjchem-2675	382	59	double	double	ADJ
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eurjchem-2675	382	61	halides	halide	NOUN
eurjchem-2675	382	62	rb2xcl6	rb2xcl6	PROPN
eurjchem-2675	382	63	(	(	PUNCT
eurjchem-2675	382	64	x	x	SYM
eurjchem-2675	382	65	 	 	SPACE
eurjchem-2675	382	66	=	=	NOUN
eurjchem-2675	382	67	 	 	SPACE
eurjchem-2675	382	68	se	se	X
eurjchem-2675	382	69	,	,	PUNCT
eurjchem-2675	382	70	ti	ti	NOUN
eurjchem-2675	382	71	)	)	PUNCT
eurjchem-2675	382	72	for	for	ADP
eurjchem-2675	382	73	optoelectronic	optoelectronic	ADJ
eurjchem-2675	382	74	and	and	CCONJ
eurjchem-2675	382	75	thermoelectric	thermoelectric	ADJ
eurjchem-2675	382	76	applications	application	NOUN
eurjchem-2675	382	77	.	.	PUNCT
eurjchem-2675	383	1	j.	j.	PROPN
eurjchem-2675	383	2	comput	comput	PROPN
eurjchem-2675	383	3	.	.	PUNCT
eurjchem-2675	384	1	chem	chem	NOUN
eurjchem-2675	384	2	.	.	PUNCT
eurjchem-2675	385	1	2023	2023	NUM
eurjchem-2675	385	2	,	,	PUNCT
eurjchem-2675	385	3	44	44	NUM
eurjchem-2675	385	4	(	(	PUNCT
eurjchem-2675	385	5	19	19	NUM
eurjchem-2675	385	6	)	)	PUNCT
eurjchem-2675	385	7	,	,	PUNCT
eurjchem-2675	385	8	1690–1703	1690–1703	NUM
eurjchem-2675	385	9	.	.	PUNCT
eurjchem-2675	386	1	[	[	X
eurjchem-2675	386	2	37	37	NUM
eurjchem-2675	386	3	]	]	PUNCT
eurjchem-2675	386	4	.	.	PUNCT
eurjchem-2675	387	1	rahman	rahman	PROPN
eurjchem-2675	387	2	,	,	PUNCT
eurjchem-2675	387	3	s.	s.	PROPN
eurjchem-2675	387	4	;	;	PUNCT
eurjchem-2675	387	5	hussain	hussain	PROPN
eurjchem-2675	387	6	,	,	PUNCT
eurjchem-2675	387	7	a.	a.	PROPN
eurjchem-2675	387	8	;	;	PUNCT
eurjchem-2675	387	9	noreen	noreen	PROPN
eurjchem-2675	387	10	,	,	PUNCT
eurjchem-2675	387	11	s.	s.	PROPN
eurjchem-2675	387	12	;	;	PUNCT
eurjchem-2675	387	13	bibi	bibi	NOUN
eurjchem-2675	387	14	,	,	PUNCT
eurjchem-2675	387	15	n.	n.	PROPN
eurjchem-2675	387	16	;	;	PUNCT
eurjchem-2675	387	17	arshad	arshad	PROPN
eurjchem-2675	387	18	,	,	PUNCT
eurjchem-2675	387	19	s.	s.	PROPN
eurjchem-2675	387	20	;	;	PUNCT
eurjchem-2675	387	21	rehman	rehman	PROPN
eurjchem-2675	387	22	,	,	PUNCT
eurjchem-2675	387	23	j.	j.	PROPN
eurjchem-2675	387	24	u.	u.	PROPN
eurjchem-2675	387	25	;	;	PUNCT
eurjchem-2675	387	26	tahir	tahir	PROPN
eurjchem-2675	387	27	,	,	PUNCT
eurjchem-2675	387	28	m.	m.	PROPN
eurjchem-2675	387	29	b.	b.	PROPN
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eurjchem-2675	387	31	,	,	PUNCT
eurjchem-2675	387	32	electronic	electronic	ADJ
eurjchem-2675	387	33	,	,	PUNCT
eurjchem-2675	387	34	optical	optical	ADJ
eurjchem-2675	387	35	and	and	CCONJ
eurjchem-2675	387	36	mechanical	mechanical	ADJ
eurjchem-2675	387	37	properties	property	NOUN
eurjchem-2675	387	38	of	of	ADP
eurjchem-2675	387	39	oxide	oxide	NOUN
eurjchem-2675	387	40	-	-	PUNCT
eurjchem-2675	387	41	based	base	VERB
eurjchem-2675	387	42	perovskite	perovskite	NOUN
eurjchem-2675	387	43	abo3	abo3	NOUN
eurjchem-2675	387	44	(	(	PUNCT
eurjchem-2675	387	45	a	a	PRON
eurjchem-2675	387	46	=	=	SYM
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eurjchem-2675	387	48	,	,	PUNCT
eurjchem-2675	387	49	nd	nd	PRON
eurjchem-2675	387	50	and	and	CCONJ
eurjchem-2675	387	51	b	b	PROPN
eurjchem-2675	387	52	=	=	SYM
eurjchem-2675	387	53	sn	sn	PROPN
eurjchem-2675	387	54	,	,	PUNCT
eurjchem-2675	387	55	sc	sc	PROPN
eurjchem-2675	387	56	):	):	PUNCT
eurjchem-2675	387	57	a	a	DET
eurjchem-2675	387	58	dft	dft	PROPN
eurjchem-2675	387	59	study	study	NOUN
eurjchem-2675	387	60	.	.	PUNCT
eurjchem-2675	388	1	j.	j.	PROPN
eurjchem-2675	388	2	solid	solid	PROPN
eurjchem-2675	388	3	state	state	PROPN
eurjchem-2675	388	4	chem	chem	NOUN
eurjchem-2675	388	5	.	.	PUNCT
eurjchem-2675	389	1	2023	2023	NUM
eurjchem-2675	389	2	,	,	PUNCT
eurjchem-2675	389	3	317	317	NUM
eurjchem-2675	389	4	,	,	PUNCT
eurjchem-2675	389	5	123650	123650	NUM
eurjchem-2675	389	6	.	.	PUNCT
eurjchem-2675	390	1	[	[	X
eurjchem-2675	390	2	38	38	NUM
eurjchem-2675	390	3	]	]	PUNCT
eurjchem-2675	390	4	.	.	PUNCT
eurjchem-2675	391	1	salma	salma	PROPN
eurjchem-2675	391	2	,	,	PUNCT
eurjchem-2675	391	3	m.	m.	NOUN
eurjchem-2675	391	4	;	;	PUNCT
eurjchem-2675	391	5	atikur	atikur	PROPN
eurjchem-2675	391	6	rahman	rahman	PROPN
eurjchem-2675	391	7	,	,	PUNCT
eurjchem-2675	391	8	m.	m.	NOUN
eurjchem-2675	391	9	study	study	NOUN
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eurjchem-2675	391	12	,	,	PUNCT
eurjchem-2675	391	13	elastic	elastic	ADJ
eurjchem-2675	391	14	,	,	PUNCT
eurjchem-2675	391	15	electronic	electronic	ADJ
eurjchem-2675	391	16	,	,	PUNCT
eurjchem-2675	391	17	mechanical	mechanical	ADJ
eurjchem-2675	391	18	,	,	PUNCT
eurjchem-2675	391	19	optical	optical	ADJ
eurjchem-2675	391	20	and	and	CCONJ
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eurjchem-2675	391	22	properties	property	NOUN
eurjchem-2675	391	23	of	of	ADP
eurjchem-2675	391	24	ndpb3	ndpb3	PROPN
eurjchem-2675	391	25	intermetallic	intermetallic	ADJ
eurjchem-2675	391	26	compound	compound	NOUN
eurjchem-2675	391	27	:	:	PUNCT
eurjchem-2675	391	28	dft	dft	PROPN
eurjchem-2675	391	29	based	base	VERB
eurjchem-2675	391	30	calculations	calculation	NOUN
eurjchem-2675	391	31	.	.	PUNCT
eurjchem-2675	392	1	computational	computational	ADJ
eurjchem-2675	392	2	condensed	condense	VERB
eurjchem-2675	392	3	matter	matter	NOUN
eurjchem-2675	392	4	.	.	PUNCT
eurjchem-2675	393	1	2018	2018	NUM
eurjchem-2675	393	2	,	,	PUNCT
eurjchem-2675	393	3	15	15	NUM
eurjchem-2675	393	4	,	,	PUNCT
eurjchem-2675	393	5	42–47	42–47	NUM
eurjchem-2675	393	6	.	.	PUNCT
eurjchem-2675	394	1	[	[	X
eurjchem-2675	394	2	39	39	NUM
eurjchem-2675	394	3	]	]	PUNCT
eurjchem-2675	394	4	.	.	PUNCT
eurjchem-2675	395	1	rehman	rehman	PROPN
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eurjchem-2675	395	3	j.	j.	PROPN
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eurjchem-2675	395	5	;	;	PUNCT
eurjchem-2675	395	6	usman	usman	PROPN
eurjchem-2675	395	7	,	,	PUNCT
eurjchem-2675	395	8	m.	m.	NOUN
eurjchem-2675	395	9	;	;	PUNCT
eurjchem-2675	395	10	tahir	tahir	PROPN
eurjchem-2675	395	11	,	,	PUNCT
eurjchem-2675	395	12	m.	m.	PROPN
eurjchem-2675	395	13	b.	b.	PROPN
eurjchem-2675	395	14	;	;	PUNCT
eurjchem-2675	395	15	hussain	hussain	PROPN
eurjchem-2675	395	16	,	,	PUNCT
eurjchem-2675	395	17	a.	a.	NOUN
eurjchem-2675	395	18	;	;	PUNCT
eurjchem-2675	395	19	rashid	rashid	PROPN
eurjchem-2675	395	20	,	,	PUNCT
eurjchem-2675	395	21	m.	m.	NOUN
eurjchem-2675	395	22	investigation	investigation	NOUN
eurjchem-2675	395	23	of	of	ADP
eurjchem-2675	395	24	structural	structural	ADJ
eurjchem-2675	395	25	,	,	PUNCT
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eurjchem-2675	395	27	,	,	PUNCT
eurjchem-2675	395	28	optical	optical	ADJ
eurjchem-2675	395	29	,	,	PUNCT
eurjchem-2675	395	30	mechanical	mechanical	ADJ
eurjchem-2675	395	31	and	and	CCONJ
eurjchem-2675	395	32	thermodynamic	thermodynamic	ADJ
eurjchem-2675	395	33	properties	property	NOUN
eurjchem-2675	395	34	of	of	ADP
eurjchem-2675	395	35	yru2p2	yru2p2	ADJ
eurjchem-2675	395	36	compound	compound	NOUN
eurjchem-2675	395	37	for	for	ADP
eurjchem-2675	395	38	superconducting	superconducte	VERB
eurjchem-2675	395	39	application	application	NOUN
eurjchem-2675	395	40	.	.	PUNCT
eurjchem-2675	396	1	j.	j.	PROPN
eurjchem-2675	396	2	supercond	supercond	PROPN
eurjchem-2675	396	3	.	.	PUNCT
eurjchem-2675	397	1	nov	nov	PROPN
eurjchem-2675	397	2	.	.	PROPN
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eurjchem-2675	397	4	.	.	PROPN
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eurjchem-2675	397	6	,	,	PUNCT
eurjchem-2675	397	7	34	34	NUM
eurjchem-2675	397	8	(	(	PUNCT
eurjchem-2675	397	9	12	12	NUM
eurjchem-2675	397	10	)	)	PUNCT
eurjchem-2675	397	11	,	,	PUNCT
eurjchem-2675	397	12	3089–3097	3089–3097	NUM
eurjchem-2675	397	13	.	.	PUNCT
eurjchem-2675	398	1	[	[	X
eurjchem-2675	398	2	40	40	NUM
eurjchem-2675	398	3	]	]	PUNCT
eurjchem-2675	398	4	.	.	PUNCT
eurjchem-2675	399	1	colmenero	colmenero	PROPN
eurjchem-2675	399	2	,	,	PUNCT
eurjchem-2675	399	3	f.	f.	PROPN
eurjchem-2675	399	4	;	;	PUNCT
eurjchem-2675	399	5	timón	timón	PROPN
eurjchem-2675	399	6	,	,	PUNCT
eurjchem-2675	399	7	v.	v.	ADP
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eurjchem-2675	399	10	the	the	DET
eurjchem-2675	399	11	structural	structural	ADJ
eurjchem-2675	399	12	,	,	PUNCT
eurjchem-2675	399	13	vibrational	vibrational	ADJ
eurjchem-2675	399	14	and	and	CCONJ
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eurjchem-2675	399	16	properties	property	NOUN
eurjchem-2675	399	17	of	of	ADP
eurjchem-2675	399	18	natroxalate	natroxalate	ADJ
eurjchem-2675	399	19	mineral	mineral	NOUN
eurjchem-2675	399	20	using	use	VERB
eurjchem-2675	399	21	density	density	NOUN
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eurjchem-2675	399	24	.	.	PUNCT
eurjchem-2675	400	1	journal	journal	PROPN
eurjchem-2675	400	2	of	of	ADP
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eurjchem-2675	400	4	state	state	NOUN
eurjchem-2675	400	5	chemistry	chemistry	NOUN
eurjchem-2675	400	6	2018	2018	NUM
eurjchem-2675	400	7	,	,	PUNCT
eurjchem-2675	400	8	263	263	NUM
eurjchem-2675	400	9	,	,	PUNCT
eurjchem-2675	400	10	131–140	131–140	NUM
eurjchem-2675	400	11	.	.	PUNCT
eurjchem-2675	401	1	[	[	X
eurjchem-2675	401	2	41	41	NUM
eurjchem-2675	401	3	]	]	PUNCT
eurjchem-2675	401	4	.	.	PUNCT
eurjchem-2675	402	1	ferrari	ferrari	PROPN
eurjchem-2675	402	2	,	,	PUNCT
eurjchem-2675	402	3	a.	a.	NOUN
eurjchem-2675	402	4	m.	m.	NOUN
eurjchem-2675	402	5	;	;	PUNCT
eurjchem-2675	402	6	orlando	orlando	PROPN
eurjchem-2675	402	7	,	,	PUNCT
eurjchem-2675	402	8	r.	r.	PROPN
eurjchem-2675	402	9	;	;	PUNCT
eurjchem-2675	402	10	rérat	rérat	PROPN
eurjchem-2675	402	11	,	,	PUNCT
eurjchem-2675	402	12	m.	m.	NOUN
eurjchem-2675	402	13	ab	ab	PROPN
eurjchem-2675	402	14	initio	initio	PROPN
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eurjchem-2675	402	16	of	of	ADP
eurjchem-2675	402	17	the	the	DET
eurjchem-2675	402	18	ultraviolet	ultraviolet	NOUN
eurjchem-2675	402	19	–	–	PUNCT
eurjchem-2675	402	20	visible	visible	ADJ
eurjchem-2675	402	21	(	(	PUNCT
eurjchem-2675	402	22	uv	uv	NOUN
eurjchem-2675	402	23	-	-	PUNCT
eurjchem-2675	402	24	vis	vis	X
eurjchem-2675	402	25	)	)	PUNCT
eurjchem-2675	402	26	absorption	absorption	NOUN
eurjchem-2675	402	27	spectrum	spectrum	NOUN
eurjchem-2675	402	28	,	,	PUNCT
eurjchem-2675	402	29	electron	electron	NOUN
eurjchem-2675	402	30	-	-	PUNCT
eurjchem-2675	402	31	loss	loss	NOUN
eurjchem-2675	402	32	function	function	NOUN
eurjchem-2675	402	33	,	,	PUNCT
eurjchem-2675	402	34	and	and	CCONJ
eurjchem-2675	402	35	reflectivity	reflectivity	NOUN
eurjchem-2675	402	36	of	of	ADP
eurjchem-2675	402	37	solids	solid	NOUN
eurjchem-2675	402	38	.	.	PUNCT
eurjchem-2675	403	1	j.	j.	PROPN
eurjchem-2675	403	2	chem	chem	PROPN
eurjchem-2675	403	3	.	.	PUNCT
eurjchem-2675	404	1	theory	theory	NOUN
eurjchem-2675	404	2	.	.	PUNCT
eurjchem-2675	405	1	comput	comput	NOUN
eurjchem-2675	405	2	.	.	PUNCT
eurjchem-2675	406	1	2015	2015	NUM
eurjchem-2675	406	2	,	,	PUNCT
eurjchem-2675	406	3	11	11	NUM
eurjchem-2675	406	4	(	(	PUNCT
eurjchem-2675	406	5	7	7	NUM
eurjchem-2675	406	6	)	)	PUNCT
eurjchem-2675	406	7	,	,	PUNCT
eurjchem-2675	406	8	3245–3258	3245–3258	NUM
eurjchem-2675	406	9	.	.	PUNCT
eurjchem-2675	407	1	[	[	X
eurjchem-2675	407	2	42	42	NUM
eurjchem-2675	407	3	]	]	PUNCT
eurjchem-2675	407	4	.	.	PUNCT
eurjchem-2675	408	1	islam	islam	PROPN
eurjchem-2675	408	2	,	,	PUNCT
eurjchem-2675	408	3	m.	m.	NOUN
eurjchem-2675	408	4	a.	a.	PROPN
eurjchem-2675	408	5	;	;	PUNCT
eurjchem-2675	408	6	islam	islam	PROPN
eurjchem-2675	408	7	,	,	PUNCT
eurjchem-2675	408	8	j.	j.	PROPN
eurjchem-2675	408	9	;	;	PUNCT
eurjchem-2675	408	10	islam	islam	PROPN
eurjchem-2675	408	11	,	,	PUNCT
eurjchem-2675	408	12	m.	m.	NOUN
eurjchem-2675	408	13	n.	n.	PROPN
eurjchem-2675	408	14	;	;	PUNCT
eurjchem-2675	408	15	sen	sen	PROPN
eurjchem-2675	408	16	,	,	PUNCT
eurjchem-2675	408	17	s.	s.	PROPN
eurjchem-2675	408	18	k.	k.	PROPN
eurjchem-2675	408	19	;	;	PUNCT
eurjchem-2675	408	20	hossain	hossain	PROPN
eurjchem-2675	408	21	,	,	PUNCT
eurjchem-2675	408	22	a.	a.	PROPN
eurjchem-2675	408	23	k.	k.	PROPN
eurjchem-2675	408	24	enhanced	enhance	VERB
eurjchem-2675	408	25	ductility	ductility	NOUN
eurjchem-2675	408	26	and	and	CCONJ
eurjchem-2675	408	27	optoelectronic	optoelectronic	ADJ
eurjchem-2675	408	28	properties	property	NOUN
eurjchem-2675	408	29	of	of	ADP
eurjchem-2675	408	30	environment	environment	NOUN
eurjchem-2675	408	31	-	-	PUNCT
eurjchem-2675	408	32	friendly	friendly	ADJ
eurjchem-2675	408	33	csgecl3	csgecl3	NOUN
eurjchem-2675	408	34	under	under	ADP
eurjchem-2675	408	35	pressure	pressure	NOUN
eurjchem-2675	408	36	.	.	PUNCT
eurjchem-2675	409	1	aip	aip	PROPN
eurjchem-2675	409	2	.	.	PUNCT
eurjchem-2675	410	1	advances	advance	VERB
eurjchem-2675	410	2	2021	2021	NUM
eurjchem-2675	410	3	,	,	PUNCT
eurjchem-2675	410	4	11	11	NUM
eurjchem-2675	410	5	(	(	PUNCT
eurjchem-2675	410	6	4	4	NUM
eurjchem-2675	410	7	)	)	PUNCT
eurjchem-2675	410	8	,	,	PUNCT
eurjchem-2675	410	9	045014	045014	NUM
eurjchem-2675	410	10	.	.	PUNCT
eurjchem-2675	411	1	[	[	X
eurjchem-2675	411	2	43	43	NUM
eurjchem-2675	411	3	]	]	PUNCT
eurjchem-2675	411	4	.	.	PUNCT
eurjchem-2675	412	1	kora	kora	PROPN
eurjchem-2675	412	2	,	,	PUNCT
eurjchem-2675	412	3	h.	h.	PROPN
eurjchem-2675	412	4	h.	h.	PROPN
eurjchem-2675	412	5	;	;	PUNCT
eurjchem-2675	412	6	taha	taha	PROPN
eurjchem-2675	412	7	,	,	PUNCT
eurjchem-2675	412	8	m.	m.	NOUN
eurjchem-2675	412	9	;	;	PUNCT
eurjchem-2675	412	10	abdelwahab	abdelwahab	PROPN
eurjchem-2675	412	11	,	,	PUNCT
eurjchem-2675	412	12	a.	a.	NOUN
eurjchem-2675	412	13	;	;	PUNCT
eurjchem-2675	412	14	farghali	farghali	PROPN
eurjchem-2675	412	15	,	,	PUNCT
eurjchem-2675	412	16	a.	a.	NOUN
eurjchem-2675	412	17	a.	a.	PROPN
eurjchem-2675	412	18	;	;	PUNCT
eurjchem-2675	412	19	el	el	PROPN
eurjchem-2675	412	20	-	-	PROPN
eurjchem-2675	412	21	dek	dek	PROPN
eurjchem-2675	412	22	,	,	PUNCT
eurjchem-2675	412	23	s.	s.	PROPN
eurjchem-2675	412	24	i.	i.	PROPN
eurjchem-2675	412	25	effect	effect	NOUN
eurjchem-2675	412	26	of	of	ADP
eurjchem-2675	412	27	pressure	pressure	NOUN
eurjchem-2675	412	28	on	on	ADP
eurjchem-2675	412	29	the	the	DET
eurjchem-2675	412	30	geometric	geometric	ADJ
eurjchem-2675	412	31	,	,	PUNCT
eurjchem-2675	412	32	electronic	electronic	ADJ
eurjchem-2675	412	33	structure	structure	NOUN
eurjchem-2675	412	34	,	,	PUNCT
eurjchem-2675	412	35	elastic	elastic	ADJ
eurjchem-2675	412	36	,	,	PUNCT
eurjchem-2675	412	37	and	and	CCONJ
eurjchem-2675	412	38	optical	optical	ADJ
eurjchem-2675	412	39	properties	property	NOUN
eurjchem-2675	412	40	of	of	ADP
eurjchem-2675	412	41	the	the	DET
eurjchem-2675	412	42	normal	normal	ADJ
eurjchem-2675	412	43	spinel	spinel	NOUN
eurjchem-2675	412	44	mgfe2o4	mgfe2o4	NOUN
eurjchem-2675	412	45	:	:	PUNCT
eurjchem-2675	412	46	a	a	DET
eurjchem-2675	412	47	first	first	ADJ
eurjchem-2675	412	48	-	-	PUNCT
eurjchem-2675	412	49	principles	principle	NOUN
eurjchem-2675	412	50	study	study	NOUN
eurjchem-2675	412	51	.	.	PUNCT
eurjchem-2675	413	1	mater	mater	NOUN
eurjchem-2675	413	2	.	.	PUNCT
eurjchem-2675	414	1	res	re	NOUN
eurjchem-2675	414	2	.	.	PUNCT
eurjchem-2675	415	1	express	express	PROPN
eurjchem-2675	415	2	.	.	PUNCT
eurjchem-2675	416	1	2020	2020	NUM
eurjchem-2675	416	2	,	,	PUNCT
eurjchem-2675	416	3	7	7	NUM
eurjchem-2675	416	4	(	(	PUNCT
eurjchem-2675	416	5	10	10	NUM
eurjchem-2675	416	6	)	)	PUNCT
eurjchem-2675	416	7	,	,	PUNCT
eurjchem-2675	416	8	106101	106101	NUM
eurjchem-2675	416	9	.	.	PUNCT
eurjchem-2675	417	1	[	[	X
eurjchem-2675	417	2	44	44	NUM
eurjchem-2675	417	3	]	]	PUNCT
eurjchem-2675	417	4	.	.	PUNCT
eurjchem-2675	418	1	al	al	PROPN
eurjchem-2675	418	2	-	-	PUNCT
eurjchem-2675	418	3	qaisi	qaisi	PROPN
eurjchem-2675	418	4	,	,	PUNCT
eurjchem-2675	418	5	s.	s.	PROPN
eurjchem-2675	418	6	;	;	PUNCT
eurjchem-2675	418	7	mushtaq	mushtaq	PROPN
eurjchem-2675	418	8	,	,	PUNCT
eurjchem-2675	418	9	m.	m.	NOUN
eurjchem-2675	418	10	;	;	PUNCT
eurjchem-2675	418	11	alzahrani	alzahrani	PROPN
eurjchem-2675	418	12	,	,	PUNCT
eurjchem-2675	418	13	j.	j.	PROPN
eurjchem-2675	418	14	s.	s.	PROPN
eurjchem-2675	418	15	;	;	PUNCT
eurjchem-2675	418	16	alkhaldi	alkhaldi	PROPN
eurjchem-2675	418	17	,	,	PUNCT
eurjchem-2675	418	18	h.	h.	PROPN
eurjchem-2675	418	19	;	;	PUNCT
eurjchem-2675	418	20	alrowaili	alrowaili	NOUN
eurjchem-2675	418	21	,	,	PUNCT
eurjchem-2675	418	22	z.	z.	PROPN
eurjchem-2675	418	23	;	;	PUNCT
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eurjchem-2675	418	25	,	,	PUNCT
eurjchem-2675	418	26	h.	h.	PROPN
eurjchem-2675	418	27	;	;	PUNCT
eurjchem-2675	418	28	haq	haq	PROPN
eurjchem-2675	418	29	,	,	PUNCT
eurjchem-2675	418	30	b.	b.	PROPN
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eurjchem-2675	418	32	;	;	PUNCT
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eurjchem-2675	418	34	,	,	PUNCT
eurjchem-2675	418	35	q.	q.	PROPN
eurjchem-2675	418	36	;	;	PUNCT
eurjchem-2675	418	37	al	al	PROPN
eurjchem-2675	418	38	-	-	PUNCT
eurjchem-2675	418	39	buriahi	buriahi	PROPN
eurjchem-2675	418	40	,	,	PUNCT
eurjchem-2675	418	41	m.	m.	NOUN
eurjchem-2675	418	42	;	;	PUNCT
eurjchem-2675	418	43	morsi	morsi	PROPN
eurjchem-2675	418	44	,	,	PUNCT
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eurjchem-2675	418	46	firstprinciples	firstprinciple	VERB
eurjchem-2675	418	47	calculations	calculation	NOUN
eurjchem-2675	418	48	to	to	PART
eurjchem-2675	418	49	investigate	investigate	VERB
eurjchem-2675	418	50	electronic	electronic	ADJ
eurjchem-2675	418	51	,	,	PUNCT
eurjchem-2675	418	52	structural	structural	ADJ
eurjchem-2675	418	53	,	,	PUNCT
eurjchem-2675	418	54	optical	optical	ADJ
eurjchem-2675	418	55	,	,	PUNCT
eurjchem-2675	418	56	and	and	CCONJ
eurjchem-2675	418	57	thermoelectric	thermoelectric	ADJ
eurjchem-2675	418	58	properties	property	NOUN
eurjchem-2675	418	59	of	of	ADP
eurjchem-2675	418	60	semiconducting	semiconducte	VERB
eurjchem-2675	418	61	double	double	ADJ
eurjchem-2675	418	62	perovskite	perovskite	NOUN
eurjchem-2675	418	63	ba2ybio6	ba2ybio6	NOUN
eurjchem-2675	418	64	.	.	PUNCT
eurjchem-2675	419	1	micro	micro	PROPN
eurjchem-2675	419	2	.	.	PROPN
eurjchem-2675	419	3	nanostructures	nanostructures	PROPN
eurjchem-2675	419	4	2022	2022	NUM
eurjchem-2675	419	5	,	,	PUNCT
eurjchem-2675	419	6	170	170	NUM
eurjchem-2675	419	7	,	,	PUNCT
eurjchem-2675	419	8	207397	207397	NUM
eurjchem-2675	419	9	.	.	PUNCT
eurjchem-2675	420	1	[	[	X
eurjchem-2675	420	2	45	45	NUM
eurjchem-2675	420	3	]	]	PUNCT
eurjchem-2675	420	4	.	.	PUNCT
eurjchem-2675	421	1	dey	dey	PROPN
eurjchem-2675	421	2	,	,	PUNCT
eurjchem-2675	421	3	a.	a.	NOUN
eurjchem-2675	421	4	;	;	PUNCT
eurjchem-2675	421	5	sharma	sharma	PROPN
eurjchem-2675	421	6	,	,	PUNCT
eurjchem-2675	421	7	r.	r.	PROPN
eurjchem-2675	421	8	;	;	PUNCT
eurjchem-2675	421	9	dar	dar	PROPN
eurjchem-2675	421	10	,	,	PUNCT
eurjchem-2675	421	11	s.	s.	PROPN
eurjchem-2675	421	12	a.	a.	PROPN
eurjchem-2675	421	13	;	;	PUNCT
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eurjchem-2675	421	15	,	,	PUNCT
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eurjchem-2675	421	21	oxide	oxide	NOUN
eurjchem-2675	421	22	:	:	PUNCT
eurjchem-2675	421	23	a	a	DET
eurjchem-2675	421	24	compound	compound	NOUN
eurjchem-2675	421	25	with	with	ADP
eurjchem-2675	421	26	striking	strike	VERB
eurjchem-2675	421	27	electronic	electronic	ADJ
eurjchem-2675	421	28	,	,	PUNCT
eurjchem-2675	421	29	thermoelectric	thermoelectric	ADJ
eurjchem-2675	421	30	and	and	CCONJ
eurjchem-2675	421	31	optical	optical	ADJ
eurjchem-2675	421	32	properties	property	NOUN
eurjchem-2675	421	33	,	,	PUNCT
eurjchem-2675	421	34	explored	explore	VERB
eurjchem-2675	421	35	using	use	VERB
eurjchem-2675	421	36	dft	dft	PROPN
eurjchem-2675	421	37	studies	study	NOUN
eurjchem-2675	421	38	.	.	PUNCT
eurjchem-2675	422	1	computational	computational	ADJ
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eurjchem-2675	422	3	matter	matter	NOUN
eurjchem-2675	422	4	.	.	PUNCT
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eurjchem-2675	424	1	al	al	PROPN
eurjchem-2675	424	2	masud	masud	PROPN
eurjchem-2675	424	3	et	et	PROPN
eurjchem-2675	424	4	al	al	PROPN
eurjchem-2675	424	5	.	.	PUNCT
eurjchem-2675	424	6	/	/	SYM
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eurjchem-2675	424	11	16	16	NUM
eurjchem-2675	424	12	(	(	PUNCT
eurjchem-2675	424	13	3	3	NUM
eurjchem-2675	424	14	)	)	PUNCT
eurjchem-2675	424	15	(	(	PUNCT
eurjchem-2675	424	16	2025	2025	NUM
eurjchem-2675	424	17	)	)	PUNCT
eurjchem-2675	424	18	292	292	NUM
eurjchem-2675	424	19	-	-	SYM
eurjchem-2675	424	20	301	301	NUM
eurjchem-2675	424	21	301	301	NUM
eurjchem-2675	424	22	2025	2025	NUM
eurjchem-2675	424	23	–	–	PUNCT
eurjchem-2675	424	24	european	european	ADJ
eurjchem-2675	424	25	journal	journal	NOUN
eurjchem-2675	424	26	of	of	ADP
eurjchem-2675	424	27	chemistry	chemistry	NOUN
eurjchem-2675	424	28	–	–	PUNCT
eurjchem-2675	424	29	cc	cc	NOUN
eurjchem-2675	424	30	by	by	ADP
eurjchem-2675	424	31	nc	nc	PROPN
eurjchem-2675	424	32	–	–	PUNCT
eurjchem-2675	424	33	doi	doi	NOUN
eurjchem-2675	424	34	:	:	PUNCT
eurjchem-2675	424	35	10.5155	10.5155	NUM
eurjchem-2675	424	36	/	/	SYM
eurjchem-2675	424	37	eurjchem.16.3.292	eurjchem.16.3.292	NOUN
eurjchem-2675	424	38	-	-	SYM
eurjchem-2675	424	39	301.2675	301.2675	NUM
eurjchem-2675	424	40	[	[	X
eurjchem-2675	424	41	46	46	NUM
eurjchem-2675	424	42	]	]	PUNCT
eurjchem-2675	424	43	.	.	PUNCT
eurjchem-2675	425	1	munshi	munshi	PROPN
eurjchem-2675	425	2	,	,	PUNCT
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eurjchem-2675	425	4	r.	r.	PROPN
eurjchem-2675	425	5	;	;	PUNCT
eurjchem-2675	425	6	zahan	zahan	PROPN
eurjchem-2675	425	7	,	,	PUNCT
eurjchem-2675	425	8	m.	m.	PROPN
eurjchem-2675	425	9	s.	s.	PROPN
eurjchem-2675	425	10	;	;	PUNCT
eurjchem-2675	425	11	rana	rana	PROPN
eurjchem-2675	425	12	,	,	PUNCT
eurjchem-2675	425	13	m.	m.	PROPN
eurjchem-2675	425	14	z.	z.	PROPN
eurjchem-2675	425	15	;	;	PUNCT
eurjchem-2675	425	16	masud	masud	PROPN
eurjchem-2675	425	17	,	,	PUNCT
eurjchem-2675	425	18	m.	m.	NOUN
eurjchem-2675	425	19	a.	a.	PROPN
eurjchem-2675	425	20	;	;	PUNCT
eurjchem-2675	425	21	rashid	rashid	PROPN
eurjchem-2675	425	22	,	,	PUNCT
eurjchem-2675	425	23	r.	r.	PROPN
eurjchem-2675	425	24	;	;	PUNCT
eurjchem-2675	425	25	azad	azad	PROPN
eurjchem-2675	425	26	,	,	PUNCT
eurjchem-2675	425	27	m.	m.	NOUN
eurjchem-2675	425	28	a.	a.	NOUN
eurjchem-2675	425	29	first	first	ADJ
eurjchem-2675	425	30	principles	principle	VERB
eurjchem-2675	425	31	prediction	prediction	NOUN
eurjchem-2675	425	32	of	of	ADP
eurjchem-2675	425	33	structural	structural	ADJ
eurjchem-2675	425	34	,	,	PUNCT
eurjchem-2675	425	35	electronic	electronic	ADJ
eurjchem-2675	425	36	,	,	PUNCT
eurjchem-2675	425	37	mechanical	mechanical	ADJ
eurjchem-2675	425	38	,	,	PUNCT
eurjchem-2675	425	39	thermodynamic	thermodynamic	ADJ
eurjchem-2675	425	40	,	,	PUNCT
eurjchem-2675	425	41	optical	optical	ADJ
eurjchem-2675	425	42	and	and	CCONJ
eurjchem-2675	425	43	photocatalytic	photocatalytic	ADJ
eurjchem-2675	425	44	properties	property	NOUN
eurjchem-2675	425	45	of	of	ADP
eurjchem-2675	425	46	in(x)o2	in(x)o2	PROPN
eurjchem-2675	425	47	,	,	PUNCT
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eurjchem-2675	425	49	x=	x=	PROPN
eurjchem-2675	425	50	cu	cu	PROPN
eurjchem-2675	425	51	,	,	PUNCT
eurjchem-2675	425	52	ag	ag	PROPN
eurjchem-2675	425	53	crystal	crystal	PROPN
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eurjchem-2675	425	55	by	by	ADP
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eurjchem-2675	425	57	dft	dft	PROPN
eurjchem-2675	425	58	.	.	PROPN
eurjchem-2675	425	59	computational	computational	ADJ
eurjchem-2675	425	60	condensed	condense	VERB
eurjchem-2675	425	61	matter	matter	NOUN
eurjchem-2675	425	62	.	.	PUNCT
eurjchem-2675	426	1	2024	2024	NUM
eurjchem-2675	426	2	,	,	PUNCT
eurjchem-2675	426	3	38	38	NUM
eurjchem-2675	426	4	,	,	PUNCT
eurjchem-2675	426	5	e00884	e00884	NOUN
eurjchem-2675	426	6	.	.	PUNCT
eurjchem-2675	427	1	[	[	X
eurjchem-2675	427	2	47	47	NUM
eurjchem-2675	427	3	]	]	PUNCT
eurjchem-2675	427	4	.	.	PUNCT
eurjchem-2675	428	1	wesch	wesch	PROPN
eurjchem-2675	428	2	,	,	PUNCT
eurjchem-2675	428	3	w.	w.	PROPN
eurjchem-2675	428	4	;	;	PUNCT
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eurjchem-2675	428	21	to	to	ADP
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eurjchem-2675	428	23	energy	energy	NOUN
eurjchem-2675	428	24	deposition	deposition	NOUN
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eurjchem-2675	429	1	j.	j.	PROPN
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eurjchem-2675	430	2	.	.	PUNCT
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eurjchem-2675	431	2	,	,	PUNCT
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eurjchem-2675	431	4	,	,	PUNCT
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eurjchem-2675	432	1	[	[	X
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eurjchem-2675	432	3	]	]	PUNCT
eurjchem-2675	432	4	.	.	PUNCT
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eurjchem-2675	433	2	,	,	PUNCT
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eurjchem-2675	434	4	.	.	PUNCT
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eurjchem-2675	435	2	,	,	PUNCT
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eurjchem-2675	436	1	[	[	X
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eurjchem-2675	436	3	]	]	PUNCT
eurjchem-2675	436	4	.	.	PUNCT
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eurjchem-2675	437	4	a.	a.	PROPN
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eurjchem-2675	437	14	bond	bond	NOUN
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eurjchem-2675	440	2	,	,	PUNCT
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eurjchem-2675	440	4	(	(	PUNCT
eurjchem-2675	440	5	4	4	NUM
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eurjchem-2675	440	7	,	,	PUNCT
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eurjchem-2675	441	1	[	[	X
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eurjchem-2675	441	3	]	]	PUNCT
eurjchem-2675	441	4	.	.	PUNCT
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eurjchem-2675	442	4	k.	k.	PROPN
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eurjchem-2675	444	4	.	.	PUNCT
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eurjchem-2675	445	2	,	,	PUNCT
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eurjchem-2675	445	4	(	(	PUNCT
eurjchem-2675	445	5	4	4	NUM
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eurjchem-2675	447	1	this	this	DET
eurjchem-2675	447	2	work	work	NOUN
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eurjchem-2675	447	5	and	and	CCONJ
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eurjchem-2675	447	8	atlanta	atlanta	PROPN
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eurjchem-2675	447	14	,	,	PUNCT
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eurjchem-2675	448	5	this	this	DET
eurjchem-2675	448	6	license	license	NOUN
eurjchem-2675	448	7	are	be	AUX
eurjchem-2675	448	8	available	available	ADJ
eurjchem-2675	448	9	at	at	ADP
eurjchem-2675	448	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
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eurjchem-2675	448	17	-	-	PUNCT
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eurjchem-2675	448	20	(	(	PUNCT
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eurjchem-2675	448	23	nc	nc	PROPN
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eurjchem-2675	449	1	by	by	ADP
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eurjchem-2675	449	4	work	work	NOUN
eurjchem-2675	449	5	,	,	PUNCT
eurjchem-2675	449	6	you	you	PRON
eurjchem-2675	449	7	hereby	hereby	ADV
eurjchem-2675	449	8	accept	accept	VERB
eurjchem-2675	449	9	the	the	DET
eurjchem-2675	449	10	terms	term	NOUN
eurjchem-2675	449	11	.	.	PUNCT
eurjchem-2675	450	1	this	this	PRON
eurjchem-2675	450	2	is	be	AUX
eurjchem-2675	450	3	an	an	DET
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eurjchem-2675	450	5	access	access	NOUN
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eurjchem-2675	450	11	and	and	CCONJ
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eurjchem-2675	450	14	the	the	DET
eurjchem-2675	450	15	cc	cc	PROPN
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eurjchem-2675	450	17	nc	nc	PROPN
eurjchem-2675	450	18	license	license	PROPN
eurjchem-2675	450	19	,	,	PUNCT
eurjchem-2675	450	20	which	which	PRON
eurjchem-2675	450	21	permits	permit	VERB
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eurjchem-2675	450	23	non	non	ADJ
eurjchem-2675	450	24	-	-	ADJ
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eurjchem-2675	450	28	distribution	distribution	NOUN
eurjchem-2675	450	29	,	,	PUNCT
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eurjchem-2675	450	32	in	in	ADP
eurjchem-2675	450	33	any	any	DET
eurjchem-2675	450	34	medium	medium	NOUN
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eurjchem-2675	450	37	the	the	DET
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eurjchem-2675	450	45	further	further	ADJ
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eurjchem-2675	450	47	from	from	ADP
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eurjchem-2675	450	53	european	european	PROPN
eurjchem-2675	450	54	journal	journal	PROPN
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eurjchem-2675	450	57	)	)	PUNCT
eurjchem-2675	450	58	.	.	PUNCT
eurjchem-2675	451	1	no	no	DET
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eurjchem-2675	451	12	not	not	PART
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eurjchem-2675	451	14	with	with	ADP
eurjchem-2675	451	15	these	these	DET
eurjchem-2675	451	16	terms	term	NOUN
eurjchem-2675	451	17	.	.	PUNCT
eurjchem-2675	452	1	permissions	permission	NOUN
eurjchem-2675	452	2	for	for	ADP
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eurjchem-2675	452	4	use	use	NOUN
eurjchem-2675	452	5	of	of	ADP
eurjchem-2675	452	6	this	this	DET
eurjchem-2675	452	7	work	work	NOUN
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eurjchem-2675	452	10	scope	scope	NOUN
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eurjchem-2675	452	12	the	the	DET
eurjchem-2675	452	13	license	license	NOUN
eurjchem-2675	452	14	(	(	PUNCT
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eurjchem-2675	452	21	publishing	publishing	PROPN
eurjchem-2675	452	22	house	house	PROPN
eurjchem-2675	452	23	llc	llc	PROPN
eurjchem-2675	452	24	(	(	PUNCT
eurjchem-2675	452	25	european	european	PROPN
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eurjchem-2675	452	29	)	)	PUNCT
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eurjchem-2675	453	1	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2675	453	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2675	453	3	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2675	453	4	1	1	NUM
eurjchem-2675	453	5	.	.	PUNCT
eurjchem-2675	454	1	introduction	introduction	NOUN
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eurjchem-2675	455	5	3.2	3.2	NUM
eurjchem-2675	455	6	.	.	PUNCT
eurjchem-2675	456	1	electronic	electronic	ADJ
eurjchem-2675	456	2	band	band	NOUN
eurjchem-2675	456	3	structure	structure	NOUN
eurjchem-2675	456	4	3.3	3.3	NUM
eurjchem-2675	456	5	.	.	PUNCT
eurjchem-2675	457	1	mechanical	mechanical	ADJ
eurjchem-2675	457	2	properties	property	NOUN
eurjchem-2675	457	3	3.4	3.4	NUM
eurjchem-2675	457	4	.	.	PUNCT
eurjchem-2675	458	1	thermo	thermo	NOUN
eurjchem-2675	458	2	-	-	PUNCT
eurjchem-2675	458	3	physical	physical	ADJ
eurjchem-2675	458	4	features	feature	VERB
eurjchem-2675	458	5	3.5	3.5	NUM
eurjchem-2675	458	6	.	.	PUNCT
eurjchem-2675	459	1	optical	optical	ADJ
eurjchem-2675	459	2	properties	property	NOUN
eurjchem-2675	459	3	3.5.1	3.5.1	NUM
eurjchem-2675	459	4	.	.	PUNCT
eurjchem-2675	460	1	optical	optical	ADJ
eurjchem-2675	460	2	absorption	absorption	NOUN
eurjchem-2675	460	3	4	4	NUM
eurjchem-2675	460	4	.	.	PUNCT
eurjchem-2675	461	1	conclusions	conclusion	NOUN
eurjchem-2675	461	2	acknowledgements	acknowledgement	NOUN
eurjchem-2675	461	3	supporting	support	VERB
eurjchem-2675	461	4	information	information	NOUN
eurjchem-2675	461	5	disclosure	disclosure	NOUN
eurjchem-2675	461	6	statement	statement	NOUN
eurjchem-2675	461	7	credit	credit	NOUN
eurjchem-2675	461	8	authorship	authorship	NOUN
eurjchem-2675	461	9	contribution	contribution	NOUN
eurjchem-2675	461	10	statement	statement	NOUN
eurjchem-2675	461	11	orcid	orcid	NOUN
eurjchem-2675	461	12	and	and	CCONJ
eurjchem-2675	461	13	email	email	NOUN
eurjchem-2675	461	14	references	reference	NOUN
eurjchem-2675	461	15	printfield10	printfield10	PROPN
eurjchem-2675	461	16	:	:	PUNCT
eurjchem-2675	461	17	printfield11	printfield11	NOUN
eurjchem-2675	461	18	:	:	PUNCT
eurjchem-2675	461	19	printfield12	printfield12	PROPN
eurjchem-2675	461	20	:	:	PUNCT
eurjchem-2675	461	21	printfield13	printfield13	VERB
eurjchem-2675	461	22	:	:	PUNCT
eurjchem-2675	461	23	printfield14	printfield14	NOUN
eurjchem-2675	461	24	:	:	PUNCT
eurjchem-2675	461	25	printfield15	printfield15	NOUN
eurjchem-2675	461	26	:	:	PUNCT
eurjchem-2675	461	27	printfield16	printfield16	ADJ
eurjchem-2675	461	28	:	:	PUNCT
eurjchem-2675	461	29	printfield17	printfield17	NOUN
eurjchem-2675	461	30	:	:	PUNCT
eurjchem-2675	461	31	printfield18	printfield18	NOUN
eurjchem-2675	461	32	:	:	PUNCT
eurjchem-2675	461	33	printfield19	printfield19	NOUN
eurjchem-2675	461	34	:	:	PUNCT
eurjchem-2675	461	35	printfield20	printfield20	PROPN
eurjchem-2675	461	36	:	:	PUNCT
eurjchem-2675	461	37	printfield21	printfield21	ADJ
eurjchem-2675	461	38	:	:	PUNCT
eurjchem-2675	461	39	printfield22	printfield22	NOUN
eurjchem-2675	461	40	:	:	PUNCT
eurjchem-2675	461	41	printfield23	printfield23	NOUN
eurjchem-2675	461	42	:	:	PUNCT
eurjchem-2675	461	43	printfield24	printfield24	NOUN
eurjchem-2675	461	44	:	:	PUNCT
eurjchem-2675	461	45	printfield25	printfield25	NOUN
eurjchem-2675	461	46	:	:	PUNCT
eurjchem-2675	461	47	printfield26	printfield26	ADJ
eurjchem-2675	461	48	:	:	PUNCT
eurjchem-2675	461	49	printfield27	printfield27	NOUN
eurjchem-2675	461	50	:	:	PUNCT
eurjchem-2675	461	51	printfield28	printfield28	NOUN
eurjchem-2675	461	52	:	:	PUNCT
eurjchem-2675	461	53	printfield29	printfield29	ADV
eurjchem-2675	461	54	:	:	PUNCT