IHJPAS. 36 (4) 2023 

171 

This work is licensed under a Creative Commons Attribution 4.0 International License 

 

   

 

 

 

 

 

 

 

*Corresponding Author: hadi.j.m@ihcoedu.uobaghdad.edu.iq                       

 

 
  

 

 

Abstract 

    In this paper, a theoretical study was introduced to discussion the  Influence of donor sensitizer 

on efficiency of solar cell with clear  focusing on dye sensitized solar cell DSSCs applications 

was presented. Use of donor  as -sensitizer dye in solar cells was a viable contender in 

photovoltaic due to their spectrum of excited state to transfer more electrons to conduction band 

of semiconductor  .In this study, two systems Alq3/ZnO and D149/ZnO devices taken with same 

two solvents .Transition energy ,coupling strength and transition parameters are used to calculate 

the  electron current density , it  uses to calculate the photovoltaic characteristic I-V ,fill factor 

and the efficiency of the solar cell .Especially, the largest performance was for the both D149/ 

ZnO   and Alq3/ZnO  solar cells based on Acetonitrile as a solvent with electron current density 

of (430 and 13.8) mA/cm^2 between (0.1 to 0.6) V and produced the highest efficiency calculated 

2.593 and 0.938for the both solar cell was  corresponds to the lowest efficiency about 0.536 for  

Alq3/ZnO with Ethanol solvent. 

Keyword: Donor Sensitize Dye , Alq3/ZnO  , D149/ZnO 

1.Introduction 

doi.org/10.30526/36.4.3382 

Article history: Received 5 April 2023, Accepted 8 May 2023, Published in October 2023. 

 

 

 

Ibn Al-Haitham Journal for Pure and Applied Sciences 

Journal homepage: jih.uobaghdad.edu.iq 

 

Theoretical Study of the Influence of Donor Sensitize Dye on Performance of 

Dye-sensitized D149/ ZnO and Alq3/ZnO   Solar Cells DSSCs 

 

 

    Hadi J.M.Al-Agealy*  

Department of Physics, College of Education 

Pure Science, Ibn Al-Haitham, University of 

Baghdad, Baghdad, Iraq 

   Taif Saad Al Maadhede      

Department of Physics, College of Education 

Pure Science, Ibn Al-Haitham, University of 

Baghdad, Baghdad, Iraq 

                                                           

Mohammad Hafizuddin Jumali    

School of Applied Physics, Faculty of Science 

and Technology, University Kebangsaan 

Malaysia, 43600, Selangor, Malaysia.                                                  

Chi Chin Yap    

Pensyarah Universiti/ Jabatan Fizik, 

Gunaan, China.                                                            

https://creativecommons.org/licenses/by/4.0/
mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq
mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq
mailto:p97498@siswa.ukm.edu.my
mailto:hafizhj@ukm.edu.my
mailto:ccyap@ukm.edu.my


IHJPAS. 36 (4) 2023 

172 
 

      Today, with the increasing population, the humanity is embarking upon the path of 

dependency to demanded for sustainable and continuous energy supply because fossil fuels 

represent finite resources and most estimates suggest that proven oil reserves will not be sufficient 

to meet global demand by at least the mid-21st century [1]. The main of strategies to meet this 

demand is alternative energy sources or  renewable energy sources ,its clean energy and safe, 

from the surround such as solar,  wind, hydropower, geothermal energy, hydropower and 

biomass[2].The solar technological has been constituting a sizable chunk to give  the abundance 

of approximated to one hour of solar irradiation amounted for annual global energies that's needed 

from solar energy [3]. The photovoltaic (PV) solar cell is devices woks to   convert  the sun light 

directly into electricity . It is  well-suited for a variety of outdoor applications, indoor and at 

various application [4]. To fulfill this goal of low cost and clean energy produced using renewable 

resources, it has been  necessary to fabrication higher efficient photovoltaic with lower 

cost[5].Dye-sensitized solar cells (DSSCs) are becoming a promised because higher efficiency, 

cost-effectiveness,  ease of fabrication, and environmentally friendly[6]. Several experimental 

techniques and variety theoretical were adopted to improvement the works  performance of 

DSSCs and understand the mechanism to enhancement their efficienc[7].Operation of DSSCs are 

depended on the charge transfer process  from excited dye molecules to conduction band 

semiconductor material [8]. Hadi et al studied charge transfer interaction process in different 

heterostructure devices depending on the investigation of the orientation energy with the 

alignment of energy levels of materials in electronic devices. The electron' moves from one state 

to another were required to close energy levels in both materials [9]. The charge transfer in variety 

of heterostructure devices depends on the transition of the energy state in both donor and acceptor 

states of contact in heterostructure devices [10].Recently, the searches develop device structures, 

sensitizers and redox mediators that's  improvement the performance of DSSCs [11]. It's very 

interesting to utilize dye molecules, that have a broad absorption spectrum, to absorb photons to 

increase the electric conversion efficiency of cells [12]. Alq3 is one of sensitizer dye uses in many  

application named Tris (8-hydroxyquinolinato) Aluminium (Alq3),it has the molecular weight 

459.43(g/mol),density 1.31(g/cm3),ionization energy5.8 eV,  chemical formula  

C27H18AlN3O3 and structure is illustrated in figure (1-A) [13].  On  the other hand ,the D149 

sensitized dye named( 5-[[4-[4 - ( 2,2  - Diphenylethenyl)phenyl]-1,2,3-3a,4,8b-

hexahydrocyclopent[b]indol-7-yl]methylene]-2-(3-ethyl-4-oxo-2- 

thioxo-5-thiazolidinylidene)-4-oxo-3-thiazolidineacetic acid, Indoline) and have ,molecular 

weight 741.94,2.141 g.cm-3 ,chemical structure C42H35N3O4S3 and structure is given  in figure 

(1-B) [14]. The chemical structure of organic Alq3 and D149 dyes are shown in Figures 2(A) and 

2(B), respectively. 

 



IHJPAS. 36 (4) 2023 

173 
 

  

                      A                                                                        B 

Figure 1.Chemical structure of sensitized dyes (A) (Alq3)dye and (B) D149 [13,14]. 

Furthermore, Alq3 and D149 are attractive organic dyes are already using in  DSSCs solar cells. The schematic of 

energy levels is depicted in Figure 2[15]. 

 

 
Figure2. Illustrated of charge transfer at molecules-semiconductor interfaces  [15]. 

 

Both  ZnO and TiO2 semiconductors are   wide band gap (3.73eV and 3.2eV ) of the II-VI 

semiconductor group ,there are promising in materials science and have crystal structure 

(tetragonal rutile and Wurzite)  , molecular weight 81.38 g/mol and 79.866 g/mol , mass density 

5.66 g/cm3 and   4.23 g/cm3, dielectric constant 8.5 and 55 with refractive index2.0033 and 

2.5688 and electrons concentration 𝑁(𝐸) = 2.2 ××  1024(1 /cm3) and 1.163×  1025(1 /cm3)  

[16]. In this paper, theoretical study based on quantum theory approach introduced to discussion 

the  influence of donor sensitizer  dyes Alq3 and D149 on performance of  DSSCs devices . 

 

2. Theory  

The current of electrons transfer from the one state to the other state (𝐼) s given by [17]: 

𝐼𝑛 = 𝑒 ∑ 𝐹(𝐸𝑛)∞
𝑛=1  𝑇𝐷

𝐴(𝐸)                                      (1) 

where 𝑒 is the electronic charge, 𝐹(𝐸𝑛) is Fermi-Dirac probability of charge transfer from donor 

to acceptor states and 𝑇𝐷
𝐴(𝐸) is transmission probability.Transmission probability has been  given 

as [18]: 

 

𝑇𝐷
𝐴(𝐸) =

2𝜋

ℏ
〈𝕄𝐷

𝐴〉2 𝛿(𝐸𝑛)                                                               (2) 

where ℏ is Dirac constant  , 𝕄𝐷
𝐴 is the strength coupling constant between the donor and the 

acceptor 𝛿(𝐸𝑛). Substituting Eq.(2) into Eq. (1) and introduced the current density �̂�(𝐸𝑛) into 



IHJPAS. 36 (4) 2023 

174 
 

get . 

𝐼𝑛 =
2𝜋𝑒

ℏ
∑ 𝐹(𝐸𝑛)∞

𝑛=1 〈𝕄𝐷
𝐴〉2�̂�(𝐸𝑛)𝛿(𝐸𝑛)                                  (3) 

 

The current density of states �̂�(𝐸𝑛 )  is given as [19]: 

 

 〈�̂�(∈𝑖)〉 = √
1

4𝜋Λ𝐴𝐷kBT
𝑒

−(Λ𝐴𝐷+∆𝐸0)2

4Λ𝐴𝐷𝑘𝐵𝑇                                        (4) 

 

where  ∆𝐸0  is the driving force energy as function of conduction band energy ECB and chemical 

potential 𝑞𝐸0 for molecule dye . Substituting Eq. (4) in Eq. (3) and integrate to results . 

 

 𝐼𝑛 =
2𝜋𝑒

ℏ
 ∫ 𝐹(𝐸𝑛)〈𝕄𝐷

𝐴〉2√
1

4𝜋Λ𝐴𝐷kBT
𝑒

−(Λ𝐴𝐷+∆𝐸0)2

4Λ𝐴𝐷𝑘𝐵𝑇 𝛿(𝐸𝑛)
∞

−∞
 dE                    (5) 

 

The density of state for semiconductor ( 𝜌𝑒(𝑆𝑒)(E)) in the system which given by [20]. 

 

𝜌𝑒(𝑆𝑒)(𝐸) = 𝛿(𝐸𝑛) = 𝐷𝑠
𝑙𝑆 

(
6

𝜋
)

1
3⁄

𝑑𝑆 

−2
3⁄
                                     (6) 

where 𝐷𝑠 is the electronic density of states in semiconductor, 𝑙𝑆  is effective length, and 𝑑𝑠 is 

atomic density of the semiconductor.Substituting Eq. (6) into Eq. (5), the result is : 

𝐼 =
2𝜋𝑒

ℏ
√

1

4𝜋Λ𝐴𝐷kBT
∫ 𝐹(𝐸)

∞

−∞
〈𝕄𝐷

𝐴〉2𝑒
−(Λ𝐴𝐷+∆𝐸0)2

4Λ𝐴𝐷𝑘𝐵𝑇 𝐷𝑠
𝑙𝑆 

(
6

𝜋
)

1
3⁄

𝑑𝑆 

−2
3⁄

𝑑𝐸              (7) 

However, the potential barrier (𝕌 ) at interface of  donor and the acceptor  is  [21]: 

 

𝕌 =
[Λ𝐴𝐷+(𝐸𝑐𝑏−𝑞𝐸0) )]2

4Λ𝐴𝐷
                                                                                   (8) 

Substituting Eq.(8) into Eq. (7) to give: 

𝐼 =
2𝜋𝑒

ℏ
√

1

4𝜋Λ𝐴𝐷kBT
〈𝕄𝐷

𝐴〉2𝑒
−

[Λ𝐴𝐷+(𝐸𝑐𝑏−𝑞𝐸0)]2

4Λ𝐴𝐷𝑘𝐵𝑇 𝑙𝑆 

(
6

𝜋
)

1
3⁄

𝑑𝑆 

−2
3⁄

∫ 𝐹(𝐸)
∞

−∞
𝐷𝑠𝑑𝐸     (9) 

 

The solving of the integral is given electron concentration 𝑁𝑆 (𝐸) at the surface of semiconductor 

[22]  :  

∫ 𝐹(𝐸)
∞

−∞
𝐷𝑠𝑑𝐸 = 𝑁𝑆 (𝐸)                                                                             (10) 

The Eq. (9) together Eq.(10) reduced to: 

𝐼 =
2𝜋𝑒

ℏ
√

1

4𝜋Λ𝐴𝐷kBT
〈𝕄𝐷

𝐴〉2𝑒
−

[Λ𝐴𝐷+(𝐸𝑐𝑏−𝑞𝐸0)]2

4Λ𝐴𝐷𝑘𝐵𝑇
𝑙𝑆 

(
6

𝜋
)

1
3⁄

𝑑𝑆 

−2
3⁄

𝑁𝑆(𝐸)                     (11) 

 

The transition energy  Λ𝐴𝐷 is energy has taken for reorientation the system  , it is given by [23]: 

  

      Λ𝐴𝐷 =
𝑒2

8𝜋𝜀°
[

1

𝐷
[

1

𝑛2
−

1

𝜀
] −

1

2𝑅
[ 

𝑛𝑆𝑒
2 −𝑛2

𝑛𝑆𝑒
2 +𝑛2

1

𝑛2
−

𝜀𝑆𝑒
2 −𝜀2

𝜀𝑆𝑒
2 +𝜀2

1

𝜀2
]]                                     (12) 

 

where ε° is the permittivity, D is radius of the Alq3 molecule, n is refractive index of solvent, ε 

is dielectric constant, R is the distance between the molecule and the semiconductor, nSe is the 

refractive index of semiconductor and εSe is the dielectric constant of the semiconductor. 

Furthermore, radii can be calculated using spherical approach [24]: 

𝐷(𝑚) = (
3

4𝜋

𝑚

𝑁𝜌
)

1

3                                                             (13) 



IHJPAS. 36 (4) 2023 

175 
 

where m is the molecular weight, N is Avogadro’s number and ρ is the density of the material. 

The fill factor value (FF) is a ratio of maximum power to the short circuit power based on I-V 

curves  and given by  [25]: 

 

𝐹𝐹 =
𝐼𝑚𝑉𝑚

𝐼𝑠𝑐𝑉𝑜𝑐
                                                           (14) 

where Im is maximum current, Vm is maximum voltage, 𝐼𝑠𝑐 is the short-circuit current  and Voc is 

the open-circuit voltage. The efficiency of solar cells is indicated the amount  of power converted 

by the cell compared to the absorbed power ,it's a ratio of the maximum electrical power output 

(Pm) to the incident power (Pin) [26]:  

𝜂 =
𝑃𝑚

𝑃𝑖𝑛
=

𝐼𝑆𝑐𝑉𝑜𝑐𝐹𝐹

𝑃𝑖𝑛
                                                         (15) 

 

3. Results and Discussion  

According to current expression in Eq.(11) based quantum transition model ,the current in both  

Alq3/ZnO and D149/ZnO  devices was strongly affected by transition energy, coupling strength, 

driving force energy and potential between the dye and semiconductor . Two  D149 and Alq3 

dyes sensitized contact with ZnO-based solar cells containing 2,2,2-Trifluoroethanol and 1-

propanol solvents, respectively were designed. The current  I, current density  𝐽, fill factor  FF, 

and  efficiency 𝜂 of the two designed DSSCs are evaluated . To calculate the current density 

depend on  several constants such as transition energy ,diving energy atomic density effective 

length ,coupling constant and potential energy . Firstly ,the transition energy depends on radii of 

molecules dye and atomic of ZnO ,that’s depend on weight M, and mass density ρ for Alq3 

,D149and ZnO from tables(1) and (2)  are needed. The  radii of Alq3 ,D149 and ZnO  were 

calculated using the Eq.(13) to give 5.181×10-8 cm , 5.16×10-8 cm and 3.8025×10-8   for Alq3 , 

D149 and ZnO  respectively.  

 

Table 1. Several properties of Dyes. 

 

 

 

 

 

Properties D149[27-28]  Alq3[29] 

Molecular weight(g.mol-1) 71.94 459.43 

Chemical formula  C42H35N3O4S3 C27H18AlN3O3  

Mass Density (g.cm-3) 1.47 1.31 

LUMO(eV) -5.13  2.85 

HOMO(eV) -2.55  5.62 

Radius (Å) 5.16 5.181 

Ionization energy(eV) 5.2 5.8  

Melting Point(oC) 284-289 415.4   



IHJPAS. 36 (4) 2023 

176 
 

 

Table 2. Essential properties of ZnO. 

Properties ZnO[30] 

Molecular weight (g.mol-1) 81.38 

Dielectric Constant 8.5 

Mass Density (g.cm-3) 5.66 

Density of state (Ns.cm-3) 2.22 × 1024 

Refractive index 2.0033 

Radius (Å) 3.8025 

Valance band 7.8 

Conduction band energy (eV) 4.5 

Refractive index 2.0041 

Electron concentration (cm-3) 2 × 1020 

Electron affinity (eV) 4.3 

 

Transition energy of both Alq3/ZnO and D149 – ZnO devices can be calculated using Eq.(12) 

with the properties of the  two solvents from table (3) and properties of ZnO from 

table(2).Firstly, inserting the  radii of Alq3 dye (5.181×10-8) , D149 dye(5.16×10-8) and 

ZnO(3.8025×10-8), refractive index and dielectric constant of two solvents and ZnO  with Eq. 

(12) using MATLAB program to calculate the values of Λ𝐴𝐷 . The resulted values are listed in 

Table (3) . 

 
Table 3. Results of transition energy of  D149/ZnO and Alq3/ZnO  solar cell devices . 

 

Table(3) shows that  Λ𝐴𝐷 was influenced by the dielectric constant and refractive index of the 

solvents.  

It can be seen the Λ𝐴𝐷 increased as the refractive index decreased and decreased as the dielectric 

constant decreased as results of polarity influence of the solvents. Transition energy  Λ𝐴𝐷(𝑒𝑉) 

for both D149/ZnO and Alq3/ZnO systems reach to 0.65059 eV and 0.623eV  with Acetonitrile 

solvents compare with 0.61559 eV and  0.589 eV with using Ethanol solvents .It indicates that 

both system with Acetonitrile solvents have bit lower energies to alignment. The current I(A) in 

D149/ZnO  and Alq3/ZnO devices has been  calculated using Eq.(11) based on the values of ΛAD 

in Table (3(, the coupling overlap (|𝕄𝐷
𝐴(𝑒𝑉)|2) takes 0.35, 0.45, 0.55, 0.65, 0.75 and 0.85 ×10−11  

in unit (eV)2,the ionization energy 5.2 eV  and 5.8 eV for  D149   and Alq3 dyes, 𝑙𝑠 = 3Ao [32] 

.The results of the current listed in Table (4) for D149/ZnO and Alq3/ZnO devices. 

 

Table 4. Results of current I of charge transfer  for Alq3/ZnO and D149 – ZnO devices . 

Solvent 
Chemical 

formula 

Refractive 

index[31]     

Static dielectric 

constant[31]  

 

  

Transition energy (eV) 

D149/ZnO Alq3/ZnO 

Ethanol C2H6O 1.3614 24.5 0.61559 0.589 

Acetonitrile C2H3N 1.3441 37.5 0.65059 0.623 

Coupling strength 

 |𝕄𝐷
𝐴(𝑒𝑉)|2× 10−11 |eV|2 

Ethanol Solvent Acetonitrile Solvent 

D149/ ZnO Alq3/ZnO D149/ ZnO Alq3/ZnO 

0.35 3.758E-02 0.149E-03 2.668E-02 0.812 E-03 

0.45 4.832E-02 0.191E-03 3.430E-02 1.044E-03 



IHJPAS. 36 (4) 2023 

177 
 

 

 

The current density (J) in both devices D149/ZnO and Alq3/ZnO devices calculated by dividing 

the current in table(4) on the area (0.4cm×0.4cm). The results of the current density list  in Table 

(5) for D149/ZnO and Alq3/ZnO devices. 

 

Table 5. Results of current density for  D149 – ZnO and Alq3/ZnO solar cell devices . 

 

 

Tables (4) and (5) show that the current and current density related to the solvent media , which 

increases with   decreases of Λ𝐴𝐷 in Table (3) , while reach to large with small transition energy  

belongs to the device.This means the current and current  density in the solar cells influence by 

polarity through the refractive index and the dielectric constant of the solvent . Polarity was 

inversely related to the  ΛAD,its clearly shown in Eq. (12) .Current  density increases when 

Λ𝐴𝐷decreases for system and transition become more probable .The current and current density 

of electron in D149 /TiO2  is larger than Alq3 /TiO2  and increases with decreases the potential 

at interface .However ,the current and current density in both  Tables (4) and (5) are increased 

with increased the  strength coupling and large  for D149/ ZnO with solvent and electrons are 

transition from donor  to the conduction band in acceptor semiconductor.Furthermore ,the open 

circuit  photo-voltage can be estimated from the I-V curves and using to calculate the efficiency 

and fill factor ,the  current density with voltage is tabulated in table(6) for both systems . The J–

V characteristics of two system  are shown in the Figure (3). 

 

Table 6 .The I-V characteristic with voltage (V) of D149 – ZnO and ALq3/ZnO. 

0.55 5.906E-02 0.234E-03 4.192E-02 1.276 E-03 

0.65 6.980E-02 0.277E-03 4.954E-02 1.508 E-03 

0.75 8.054E-02 0.319E-03 5.717E-02 1.740 E-03 

0.85 9.128E-02 0.362E-03 6.479E-02 1.972 E-03 

Coupling strength 

 |𝕄𝐷
𝐴(𝑒𝑉)|2× 10−11 |eV|2 

Ethanol Solvent Acetonitrile Solvent 

  

D149/ ZnO Alq3/ZnO D149/ ZnO Alq3/ZnO 

0.35 2.349E-01 0.932E-03 1.667E-01 5.07 E-03 

0.45 3.020E-01 1.199 E-03 2.143E-01 6.525 E-03 

0.55 3.691E-01 1.465 E-03 2.620E-01 7.981 E-03 

0.65 4.362E-01 1.732 E-03 3.096E-01 9.43 E-03 

0.75 5.033E-01 1.998E-03 3.573E-01 10.881E-03 

0.85 5.705E-01 2.265E-03 4.049E-01 12.331E-03 

Current density (𝑚𝐴. 𝑐𝑚−2) of   D149 - 

ZnO   

Current density)µA/cm2) 

of  ALq3/ZnO 

 

Voltage (V) 

Ethanol Acetonitrile Ethanol Acetonitrile  

570.516 404.974 2265.60 12331.00 0.1 

503.397 357.330 1998.70 10881.00 0.2 

436.277 309.686 1732.50 9431.00 0.3 

369.157 262.042 1465.60 7981.00 0.4 

302.038 214.398 1199.30 6525.00 0.5 



IHJPAS. 36 (4) 2023 

178 
 

 

 

A For ALq3/ZnO 

 

 

B For D149/ZnO 

Figure (3): The J–V graph of A) Alq3/ZnO and B) D149/ZnO solar cell device. 

 Table(7)Solvent dependent current, voltage, FF and efficiency.  

  

The photo-voltage  𝑉𝑜𝑐 and the current density 𝐽𝑆𝑐  in Table (7) use  to calculate the fill factor and 

efficiency using  Eq. (14) and (15) ,results listed in table(7). Table(7) indicates the efficiency an 

increased with acetonitrile comparing with Ethanol is used. As a result, Alq3/ZnO- Acetonitrile 

has high efficiency comparing with Alq3/ZnO- Ethanol  ,while the D149/ ZnO- Ethanol has large 

efficiency comparing with D149/ ZnO- Acetonitrile ,this refers the Acetonitrile solvent best 

media strongly with ZnO surface .On the other hand, the lowest efficiency values for Alq3/ZnO- 

Ethanol because Ethanol has the lowest dielectric constant comparing to the Acetonitrile solvent 

.According to work by Burak Y. Kadem et al in 2015[33] show efficiency form  1.81 and  3.92 

234.918 166.754 932.50 5078.70 0.6 

System Photovoltaic parameters of the DSSCs sensitized 

  

𝑉𝑜𝑐(Volt) 𝐽𝑆𝑐( mA/cm2) F.F efficiency 

D149/ ZnO- Ethanol 0.695 652 0.210 0.997 

Alq3/ZnO- Ethanol 0.88 2.5 0.243 0.536 

D149/ ZnO- Acetonitrile 0.663 430 0.329 0.938 

Alq3/ZnO- Acetonitrile 0.81 13.8 0.232 2.593 



IHJPAS. 36 (4) 2023 

179 
 

supply. Interestingly, the efficiency estimates in this paper are in good agreement with the 

acetonitrile solvent [33].  

 

4. Conclusions  

A simple model for current density based on quantum transfer theory introduced to the estimated 

the efficiency for solar cell devices according to density of state, transition energy ,strength 

coupling ,driving energy and concentration .The short-circuit current estimates depended on the 

current density and the other electronic coefficient. In general, the higher efficiency of solar cells 

produced with using Acetonitrile solvent has large transition energy. 

 

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composite papers. Energies. 2019,13(1): 57. 

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Carrier dynamics in a high-photovoltage and thermostable dye sensitized solar cell. ACS 

Photonics . 2017 ,4(1), 165–173. 

7. He, L., Guo, Y., Kloo, L.  The dynamics of light-induced interfacial charge transfer of 

different dyes in dye-sensitized solar cells studied by ab initio molecular dynamics. Physical 

Chemistry Chemical Physics.  2021, 23(48),  27171–27184. 

8. Methaq ,A.R.Mohsin and Hadi, J. M. Al-Agealy. Theoretical calculation of the 

electroniccurrent at N3 contact with TiO2 solar celldevices. AIP Conference Proceedings 

.2022,2437, 020060 . 

9. Hadi, J. M. Al-Agealy; Hassoni, M. A. H. ; Ahmad, M. S. ; Noori, R. I. and S. S. Jheil, S. S. 

.A Theoretical Study of Charge Transporty at Au/ZnSe and Au/ZnS Interfaces Devices. Ibn 

AL-Haitham J. Pure Appl. Sci. 2017,   27,   1,   176–187. 

10. Hadi, J. M. Al-Agealy and Hassooni, M. A. Calculate of the Rate Constant of Electron 

Transfer in TiO2–Safranine DyeSystem. Ibn AL-Haitham J. Pure Appl. Sci. 2017,   24,   3  .  

11. Ren, Y. ; Zhang, D. ; Suo, J. ; Cao, Y.; Eickemeyer, F. T. ; Vlachopoulos, N. ; Zakeeruddin, 

S. M. ; Hagfeldt   and  A.  , Grätzel , M.l Hydroxamic acid pre-adsorption raises the efficiency 

of cosensitized solar cells.Nature. 2023,  613,  60–65. 



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12. Saedi, A., Kimiagar, A. M. ,Moradi S. and Panahi, H. A.: Efficiency Enhancement of Dye‑

Sensitized Solar Cells Based on Gracilaria/Ulva Using Graphene Quantum Dot, International 

Journal of Environmental Research . 2020,41742,1007. 

13. Haider M. O. and  Hadi J.M.Al-agealy .Theoretical Study of the Electronic Transition Rate 

Production in Alq3 molecule With Au Metal Interface . The First International Conference of 

Pure and Engineering Sciences (ICPES2020) IOP Conf. Series: Materials Science and 

Engineering. 2020, 871 ,012093. 

14. Hadi J.M, Al-agealy and  Hazim H. D. Al Janeri  .Investigation the Flow Charge Rate at 

InAs/D149 and ZnO/D149 System Using Theoretical Quantum Model.AIP Conference 

Proceedings . 2019,2123, 020055  . 

15. Ayelet V.  and David C.Chemical Modification of Semiconductor Surfaces for Molecular 

Electronics .Chem. Rev. 2017, 117, 4624−4666. 

16. Methaq A. R. M. and Hadi J. M. Al-Agealy.Theoretical investigation of charge transferat N3 

sensitized molecule dye contact withTiO2 and ZnO semiconductor. AIP Conference 

Proceedings . 2022,2437, 020059  .   

17. Pedro.A.D. and Seminario J.M. Electron Transport through Single Molecules: Scattering 

Treatment Using Density Functional and Green Function Theories .J. Phys. Chem. 2001,105 

, 471 481. 

18. Taif S. Al Maadhde,Mohammad H. Jumali,Hadi J.M.Al-Agealy , Fatimah Binti Abdul Razak 

and Chi Chin Yap .An Investigation of the Fill Factor and Efficiency of Molecular -

Semiconductor Solar Cells.Materials Science Forum  2021,1039,   373-381. 

19. Nada A. S. and Hadi J. M. Al-Agealy  .Theoretical studies of electronic transition 

characteristics of senstizer molecule dye N3-SnO2 semiconductor interface.  AIP Conference 

Proceedings. 2022, 2437, 020062  .  

20. Kadem B.Y., Hassan A.K., Cranton W.  Enhancement of power conversion efficiency of 

P3HT: PCBM solar cell using solution processed Alq3 film as electron transport layer. J. 

Mater. Sci. Mater. Electron. 2015,26 , 3976–3983. 

21. Al Maadhde T.S., Jumali M.H., Hadi.J.M. Al-Agealy, Razak F.B.A., Yap C.C.  An 

Investigation of the Fill Factor and Efficiency of Molecular Semiconductor Solar Cells. 

Mater. Sci. Forum, Trans Tech Publ  2021, 1039,373–381. 

22. Kamil H., Mohsin A. H. and Hadi J.M. Al-Agealy .Investigate and Calculation Electron 

Transfer Rate Constant in the N749 Sensitized Dye Contact to ZnSe Semiconductor. 

NeuroQuantology  2021 ,   19 , 11   ,102-107 . 

23. Estabraq H. R. and Hadi.J.M. Al-Aagealy. A Theoretical Investigation of Charge Transfer 

Dynamics from SensitizedMolecule D35CPDT Dye to 𝑺𝒏𝑶𝟐 and 𝑻𝒊𝑶𝟐 Semiconducto. Ibn 

Al-Haitham Journal for Pure and Applied Sciences IHJPAS. 2022, 53 ,3 . 

24. Haider M. O.  and Hadi J.M. Al-agealy.Theoretical Study of the Electronic Transition Rate 

Production in Alq3 molecule With Au Metal Interface IOP Conf. Ser.: Mater. Sci. Eng. 

2020, 871, 12093. 

25. Khatibi A., Razi A. F.and Ahmadi M.H.Generation and combination of the solar cells: A 

current model review. Energy Science and Engineering . 2019, 7 ,2,305–322. 

26. Moiz S.A., Alahmadi A.N.M., Aljohani A.J. Design of silicon nanowire array for PEDOT: 

PSS-silicon nanowire-based hybrid solar cell, Energies. 2020, 13 ,3797. 



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27. Jianjian L., Yoon-Uk H., Andrew N., Ziqi S., Lianzhou W., Jung H. K. and Shi X. D.3D 

hierarchical rutile TiO2 and metal-free organic sensitizer producing dyesensitized solar cells 

8.6% conversion efficiency, Sci Rep.  2014, 29,4,5769. 

28. Ahmed E.Z. , Andreas O.and Burkhard Z. Isomerization and Aggregation of the Solar Cell 

Dye D149, J Phys Chem C Nanometre Interfaces. 2012,   116 ,50,26144-26153. 

29. Haider M. O. and Hadi J.M.Al-agealy .Theoretical Study of the Electronic Transition 

RateProduction in Alq3 molecule With Au Metal Interface .IOP Conf. Series, Materials 

Science and Engineering. 2020 ,871 , 012093. 

30. Hadi J. M. AL-Agealy, Taif S. AlMaadhede, Mohsin A. H., Abbas K. S., Ahmed M. Ashweik, 

Hind A. Mahdi, and Rawnaq Q.Ghadhban Theoretical study of electronic transfer current rate 

at dye-sensitized solar cells. AIP Conference Proceedings . 2018,1968, 030055. 

31. Sarmad S. Al-Obaidi, Hadi J. M. Al-Agealy, Saadi R. Abbas: Investigation And Study Of 

Electronic Transition Current For Au Metal Contact With Pentacene Molecule. Solid State 

Technolog . 2020,  63 Issue: 6 . 

32. Gosavi S., Marcus R.A.Nonadiabatic electron transfer at metal surface. J. Phys. Chem. B. 

2000,104 , 2067–2072. 

33. Burak Y. K. , Hassan A.K.  and  Wayne M C. Enhancement of power conversion efficiency 

of P3HT:PCBM solar cell using solution processed Alq3 film as electron transport layer. J 

Mater Sci: Mater Electron. 2015,3,6,10854-015-29. 

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