187 This work is licensed under a Creative Commons Attribution 4.0 International License IHJPAS. 37 (1) 2024 Ibn Al-Haitham Journal for Pure and Applied Sciences Journal homepage: jih.uobaghdad.edu.iq PISSN: 1609-4042, EISSN: 2521-3407 1,2Department of Physics, College of Education for Sciences Ibn-AL-Haitham, University of Baghdad, Baghdad, Iraq. 3Department of Solid-State Physics, Faculty of Basic Sciences, University of Mazandaran,Babolsar, Iran. *Corresponding Author. Naeem.Nahi1104a@ihcoedu.uobaghdad.edu.iq Abstract In this research, we investigate and evaluate the efficiency of a hetero junction N749-TiO2 device based on a simple donor-acceptor model for electron transfer. Electron transfer from a photo- excited N749 sensitized into a wide-band gap TiO2 is the basic charge separation in dye-sensitized solar cells, or "DSSCs". Due to the understanding of the current of the DSSCs functioning mechanism, the energy levels of the hetero junction N749-TiO2 device surrounded by DCM solvent as polar media must be continuum levels. The current-voltage (J-V) characteristics of the N749-TiO2 device are calculated in two concentrations at room temperature (T=300 k) and 100 mW Cm2 irradiation. The fill factor and efficiency of the device are found to be 0.134 and 6.990 for concentration 3.5 Γ— 1018 ( 1 π‘π‘š3 ) compared to 0.146 and 9.974 for concentration 4.5 Γ— 1018( 1 π‘π‘š3 ). The efficiency of the N749-TiO2 device is in agreement with experimental results. It also offers a rational for the suggestion to use the application of N749-TiO2 high-performance solar cells. Keywords: Efficiency, N749 Dye , TiO2, Dye Sensitized Solar Cell 1. Introduction Energy use continues to increase, increasing the depletion of fossil resources and increasing greenhouse gas emissions, which has driven tremendous efforts to provide more clean and renewable energy [1]. The dye-sensitized solar cells DSSC photovoltaic solar cell technology has drawn wide attention due to its simple fabrication process, low cost, and higher photovoltaic efficiency [2]. The DSSCs convert the sunlight into electric energy when excited the dye by absorbing the light to trigger a charge transition from the sensitized dye into the conduction band of the TiO2, and regenerating oxidized dye molecules by the electron donation from the redox couple in the system. Finally, the electron transfer through the load completed the circuit [3]. The donor-acceptor model is one of the simplest models used to discuss the electron transfer, which neither forms nor breaks any chemical bond in the system [4]. The electronic transfer reaction Received: 17 March 2023, Received 25 April 2023, Accepted 3 May 2023, Published 20 January 2024 Determining of Efficiency for the N749 Dye Contact with π“π’πŽπŸ in Dye Sensitized Solar Cell doi.org/10.30526/37.1.3235 1Naeem Nahi Abd ALI* 2Hadi J. M. Al-Agealy 3Hossain Milani Moghaddam https://creativecommons.org/licenses/by/4.0/ mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq https://jih.uobaghdad.edu.iq/index.php/j/index#1609-4042 https://jih.uobaghdad.edu.iq/index.php/j/index#2521-3407 mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:Naeem.Nahi1104a@ihcoedu.uobaghdad.edu.iq mailto:Naeem.Nahi1104a@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq https://orcid.org/0000-0000-0000-0000 mailto:Naeem.Nahi1104a@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq https://orcid.org/0002-6876-7692 mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq https://orcid.org/0000-0000-0000-0000 mailto:hadi.j.m@ihcoedu.uobaghdad.edu.iq mailto:milani@umz.ac.ir IHJPAS. 37 (1) 2024 188 process with the molecule-semiconductor plays a main role in the DSSCs operation systems. Quantum transfer theory indicates a greater challenge to the attention of interface contact between the two materials required for electron transfer in the donor-acceptor system [5–6]. Hadi et al. indicate that alignment energy levels and reorganization energy are the main parameters for electron transfer reactions in various devices [7]. Charge transfer in hetero junction materials occurs when electrons are transferred from the donor level to the acceptor level in the system of solar cell devices [8]. Furthermore, the contact region of a molecule in a semiconductor system has received more attention in different technological applications because the electron transfer reaction occurred at the cross-interface [9]. The DSSC is a photovoltaic device cell from the third generation; it contains a sensitized molecular dye and a photoactive electrode consisting of metal oxide semiconductors [10]. The N719 dye is categorized as a ruthenium metal-based organic dye, which includes the sensitizers for DSSCs due to their broad optical absorption spectrum [11]. The N749 dye is the organic attractive sensitized dye used in the DSSC solar cells; it has the chemical formula [(C4H9)4N]. 3[Ru(Htcterpy)(NCS)3] C69H117 N9O6RuS3, Tris [N,N,N-tributyl-1- butanaminium] {[2,2β€²β€²6β€²,2β€²β€²-terpyridine] -4,4β€²,4β€²β€²-tricarboxylato (3-)-N1,N1β€²,N1β€²β€²}tris (thiocyanato- N)hydrogen ruthenated [12]. The N749 ruthenium dye is the main sensitizer because of its advantages of thermal and chemical stability, good absorption of light, and more interested optoelectronic and electronic properties [13]. Its structure is shown in Figure 1 [14]. Currently, the TiO2 semiconductor is extensively used as a donor electrode in solar cells due to its high chemical stability and wide bandgap [15]. The mobility of electrons in electrodes relates to the strength of the coupling coefficient, and electrons will travel a distance from the donor to reach conduction oxide before the charge recombination [16]. Figure 1. Structure of N749 sensitised dye [14]. Recently, the improvement of the performance of the solar cell by efficiency of DSSCs has increased to be reached more than 15%, it achieves with more extensive and low-cost ,it makes a crucial case for energy applications [17]. In this work, we extend a quantum donor-acceptor model based on the electron transfer theory with density-dependent transfer and strength coupling constants to calculate the current density and efficiency of N749 contact with titanium dioxide TiO2 semiconductors in heterojunction solar cell devices. IHJPAS. 37 (1) 2024 189 2. Theory The efficiency of DSSCs is defined as the ratio of output power to its incident light power density, as written by [18]. πœ‚ = π½π‘†π‘π‘‰π‘œπ‘.𝐹𝐹 π½π‘œ Γ— 100% (1) where π½π‘œis incident light intensity(100 mW Cm2 )and FF is the fill factor and gives ratio [19]. 𝐹𝐹 = π½π‘šπ‘‰π‘š π½π‘†π‘π‘‰π‘œπ‘ (2) Where π½π‘š is the average of current density in open-circuit, π‘‰π‘š is the voltage in open-circuit, 𝐽𝑆𝑐 is short-circuit current density, and Voc is open circuit voltages. The current density in solar cell devices is given by [20]. 𝐼 = 𝑒𝑇(𝐸) βˆ‘[𝐹(𝐸𝐷) βˆ’ 𝐹(𝐸𝐴)] (3) Where 𝑒 is electronic charge, 𝐹(𝐸𝐷) and 𝐹(𝐸𝐴) are the Fermi distribution in donor and acceptor, 𝑇(𝐸) is the probability transmission coefficient. It is given by 𝑇(𝐸) = 2πœ‹ Δ§ |βŒ©πΆπ‘†πΆπΈπ‘‡βŒͺ|2πœŒπ‘’π‘“π‘“(𝐸) (4) Where, 𝐢𝑆𝐢𝐸𝑇 is the strength coupling of electron transfer and πœŒπ‘’π‘“π‘“(𝐸) is the effective density in the system written as [21]. πœŒπ‘’π‘“π‘“(𝐸) = πœŒπ‘†π‘™π‘’π‘“π‘“/ ( 6 πœ‹ ) 1 3⁄ (5) Where πœŒπ‘† is electronic density in semiconductors and 𝑙𝑒𝑓𝑓 is effective length .The electronic density in semiconductor is given by [22]. πœŒπ‘† = 𝜌𝐡(𝐸)βŒ©οΏ½Μ‚οΏ½βŒͺ𝑑𝑆 βˆ’2 3⁄ (6) Where 𝜌𝐡(𝐸) is the density of state of the Black dye system, 𝑑𝑠 is the atomic density of semiconductors and βŒ©οΏ½Μ‚οΏ½βŒͺ is the density of state in system and given by: βŒ©οΏ½Μ‚οΏ½βŒͺ = 𝑒 βˆ’ ( ℷ𝑆 𝐡+βˆ†π‘’0)2 4ℷ𝑆 π΅π‘˜π΅π‘‡ √4πœ‹β„·π‘† π΅π‘˜π΅π‘‡ (7) Here, ℷ𝑆 𝐡 and βˆ†π‘’0 are transition energy and the driving free energy as functions of conduction band energy 𝐸𝑐 and optical bandgaps Eg of N749( βˆ†π‘’0 = 𝐸𝑐 βˆ’ 𝐸𝑔). The transition energy ℷ𝑆 𝐡 (eV) in equilibrium is [23]. ℷ𝑆 𝐡(𝑒𝑉) = 𝑒2 8πœ‹πœ€Β° [ 1 𝐷 [ 1 𝑛2 βˆ’ 1 πœ€ ] βˆ’ 1 2𝑅 [ π‘›π‘†π‘’π‘š 2 βˆ’π‘›2 π‘›π‘†π‘’π‘š 2 +𝑛2 1 𝑛2 βˆ’ πœ€π‘†π‘’π‘š 2 βˆ’πœ€2 πœ€π‘†π‘’π‘š 2 +πœ€2 1 πœ€2]] (8) IHJPAS. 37 (1) 2024 190 Where, πœ€Β° is permittivity, D and 𝑅 = 𝐷𝑁749 + 𝐷𝑇𝑖𝑂2 are the radius of the molecule and the distance between the molecule and semiconductor, 𝑛 and πœ€ are the refractive index and dielectric constant of the solvent, 𝑛𝑆𝑒 is the refractive index of semiconductor and Ρ𝑆𝑒 is the dielectric constant of semiconductor. The radius is [24]. 𝐷 = ( 3 4πœ‹ 𝑀 π‘πœŒ ) 1 3 (9) Where molecular weight M, Avogadro number N, and the density of the material is ρ. Inserting Eqs. (7), (6) and (5) in Eq.(4) to give 𝑇(𝐸) = 2πœ‹ Δ§ 𝜌𝐡(𝐸) √4πœ‹β„·π‘† π΅π‘˜π΅π‘‡ |βŒ©πΆπ‘†πΆπΈπ‘‡βŒͺ|2𝑒 βˆ’ ( ℷ𝑆 𝐡+βˆ†π‘’0)2 4ℷ𝑆 π΅π‘˜π΅π‘‡ 𝑙𝑒𝑓𝑓 ( 6 πœ‹ ) 1 3⁄ 𝑑𝑆 βˆ’2 3⁄ (10) Inserting the Eq. (10) in Eq. (3) with 𝐹(𝐸) = [𝐹(𝐸𝐷) βˆ’ 𝐹(𝐸𝐴)] to result 𝐼(𝐸) = 2πœ‹π‘’ Δ§ 1) √4πœ‹β„·π‘† π΅π‘˜π΅π‘‡ |βŒ©πΆπΆπΈπ‘‡βŒͺ|2𝑒 βˆ’ ( ℷ𝑆 𝐡+βˆ†π‘’0)2 4ℷ𝑆 π΅π‘˜π΅π‘‡ 𝑙𝑒𝑓𝑓 ( 6 πœ‹ ) 1 3⁄ 𝑑𝑆 βˆ’2 3⁄ ∫ 𝜌𝐡(𝐸)𝐹(𝐸) 𝐸 0 𝑑𝐸 (11) The solution integral in Eq. (11) is given [25]. ∫ 𝐹(𝐸)𝜌𝐡(𝐸) 𝐸 0 𝑑𝐸 = 𝑛𝑠 (12) Where 𝑛𝑠 is the electronic concentration at the surface semiconductor’s in unit (states cm-3). The Eq. (12) substituting in Eq. (11) to yield: 𝐼(𝐸) = 2πœ‹π‘’ Δ§ 1 √4πœ‹β„·π‘† π΅π‘˜π΅π‘‡ |βŒ©πΆπ‘†πΆπΈπ‘‡βŒͺ|2𝑒 βˆ’ ( ℷ𝑆 𝐡+βˆ†π‘’0)2 4ℷ𝑆 π΅π‘˜π΅π‘‡ 𝑙𝑒𝑓𝑓 ( 6 πœ‹ ) 1 3⁄ 𝑑𝑆 βˆ’2 3⁄ 𝑛𝑠 (13) The atomic density 𝑑𝑆 calculates due to relation [25]. 𝑑𝑆 = 𝐷𝑆 𝐷𝑛 (14) Where 𝐷𝑛 is the number of states per atom per eV in the semiconductor and 𝐷𝑆 is the density of states for the semiconductor as a function of carrier concentration 𝑁𝑒, at the Fermi level and the Fermi energy, 𝐸𝐹, and given by [25] . 𝐷𝑆 = 3 2 ( 𝑁𝑒 𝐸𝐹 ) (15) 3. Results A combination of the quantum picture of the donor-acceptor model and electron transfer theory was applied to scrutinize and calculate the current density cross-interface of N749 contact with TiO2 based DSSCs. Due to calculate the current density produces in N749-TiO2 solar cell, it can be calculated the transition energy as a function of radius of N749 and TiO2, dielectric and refractive index of solvent and TiO2 by using Eq. (8). The radii of N749 dye and TiO2 estimate using Eq.(9) by inserting molecular weight M=1364.98 g/mol [26] and M=79.866 g/mol [27] and density 𝜌 = 1.28 g cm3 [26]) and 𝜌 = 4.23 g cm3 [27] for N749 and TiO2, respectively, results are 7.472 𝐴0and 1.956 𝐴0for N749 and TiO2. IHJPAS. 37 (1) 2024 191 The transition energy was calculated onto the N749-TiO2 system with pure Dichloromethane solvent used in DSSCs by inserting refractive 2.609 and dielectric constant 55 of TiO2 semiconductor [27] and refractive 1.4241 with dielectric constant of Dichloromethane (DCM) solvent 8.93 [28] in Eq.(8) with results ℷ𝑆 𝐡 = 0.27 𝑒𝑉 Next, the atomic density is calculated using Eq.(14) and (15) by taking The carrier concentration 𝑁𝑒 = 1.4 Γ— 10141/π‘π‘š3[29], Fermi energy 𝐸𝐹 = 4.52𝑒𝑉 [30], and take effective density of states 𝐷𝑛 = 8 (states /eV) of TiO2 [31] to result 𝑑𝑇𝑖𝑂2 = 5.80 Γ— 1012 1 πΆπ‘š3 . The electronic current produces from N749-TiO2 with DCM solvent calculates using Eq. (13) with inserting the strength coupling |βŒ©πΆπΆπΈπ‘‡βŒͺ|2=0.1.0.2,0.3,0.4,0.5,0.6,0.7, 0.8, 0.9, 1,1.1and 1.5 x10βˆ’2 |eV|2, ℷ𝑆 𝐡 = 0.27 𝑒𝑉, effective length 𝑙𝑒𝑓𝑓 = 3 Γ— 10βˆ’10π‘š[32], atomic density 𝑑𝑇𝑖𝑂2 = 5.80 Γ— 1012 1 πΆπ‘š3 and concentration 𝑛𝑠 = (3.5,4.5) Γ— 1018 1 πΆπ‘š3 [31] and βˆ†π‘’0 = 3.4 βˆ’ 3.52 = βˆ’0.12𝑒𝑉 using MATLAP program, results show in the Table (1). Table 1. Results of electronic current for N749-TiO2with (DCM) solvent. Strength coupling |〈π‘ͺπ‘ͺ𝑬𝑻βŒͺ|𝟐x10βˆ’2 (πžπ•/ 𝐬𝐭𝐚𝐭𝐞)𝟐 The electronic current in (A) The electronic concentration𝑛𝑠 ( 1 πΆπ‘š3 ) 3.5 Γ— 1018 4.5 Γ— 1018 0.1 6.0412E-04 7.7673E-04 0.2 1.2082E-03 1.5535E-03 0.3 1.8124E-03 2.3302E-03 0.4 2.4165E-03 3.1069E-03 0.5 3.0206E-03 3.8837E-03 0.6 3.6247E-03 4.6604E-03 0.7 4.2289E-03 5.4371E-03 0.8 4.8330E-03 6.2138E-03 0.9 5.4371E-03 6.9906E-03 1 6.0412E-03 7.7673E-03 1.1 6.6454E-03 8.5440E-03 1.2 7.2495E-03 9.3208E-03 1.3 7.8536E-03 1.0097E-02 1.4 8.4577E-03 1.0874E-02 1.5 9.0619E-03 1.1651E-02 The probed current density π½π‘š = 𝐼 𝐴 was calculated by the current relative to the area A of the cell (0.158 cm2) [34] ,results list in Table (2). IHJPAS. 37 (1) 2024 192 Table 2. The current density calculated for N749-TiO2 with DCM solvent. Strength coupling |〈π‘ͺπ‘ͺ𝑬𝑻βŒͺ|𝟐x10βˆ’2 (πžπ•/ 𝐬𝐭𝐚𝐭𝐞)𝟐 Current density (A.cm-2) The electronic concentration( cm-3) 3.5 Γ— 1018 4.5 Γ— 1018 0.1 3.8236E-03 4.9160E-03 0.2 7.6471E-03 9.8320E-03 0.3 1.1471E-02 1.4748E-02 0.4 1.5294E-02 1.9664E-02 0.5 1.9118E-02 2.4580E-02 0.6 2.2941E-02 2.9496E-02 0.7 2.6765E-02 3.4412E-02 0.8 3.0589E-02 3.9328E-02 0.9 3.4412E-02 4.4244E-02 1 3.8236E-02 4.9160E-02 1.1 4.2059E-02 5.4076E-02 1.2 4.5883E-02 5.8992E-02 1.3 4.9706E-02 6.3908E-02 1.4 5.3530E-02 6.8824E-02 1.5 5.7354E-02 7.3740E-02 The characteristic of current density J(mAcm2) verses voltage in Volt is shown in Table (3) Table 3. The J -V characteristic of N749-TiO2 devices The electronic concentration πŸ‘. πŸ“ Γ— πŸπŸŽπŸπŸ–)1/cm3) 4.5 Γ— 1018)1/cm3) V(Volt) Current)A/cm2) V(Volt) Current)A/cm2) 0.834 0 0.857 0 0.8 3.8236E-03 0.8 4.9160E-03 0.75 7.6471E-03 0.75 9.8320E-03 0.7 1.1471E-02 0.7 1.4748E-02 0.65 1.5294E-02 0.65 1.9664E-02 0.6 1.9118E-02 0.6 2.4580E-02 0.55 2.2941E-02 0.55 2.9496E-02 0.5 2.6765E-02 0.5 3.4412E-02 0.45 3.0589E-02 0.45 3.9328E-02 0.4 3.4412E-02 0.4 4.4244E-02 0.35 3.8236E-02 0.35 4.9160E-02 0.3 4.2059E-02 0.3 5.4076E-02 0.25 4.5883E-02 0.25 5.8992E-02 0.2 4.9706E-02 0.2 6.3908E-02 0.15 5.3530E-02 0.15 6.8824E-02 0.1 5.7354E-02 0.1 7.3740E-02 0 6.054 E-02 0 7.878 E-02 The characteristic of Jβˆ’V curves of N749 dye-contact with TiO2 solar cell devices using two concentrations 3.5 Γ— 1018 )1/Cm3)and 4.5 Γ— 1018 )1/Cm3) are shown in Figure 2. IHJPAS. 37 (1) 2024 193 (A) (B) Figure 2. The current density versus voltage under concentration 3.5 Γ— 1018)1/cm3) and 4.5 Γ— 1018 )1/cm3) of the same devices. The fill factor and efficiency evaluate by using Eq. (2) and Eq. (1), respectively, with the data in Table (3) and Figure 2, and the results are shown in Table (4) for N749- TiO2 devices Table 4. The photovoltaic parameters calculated for the N749-TiO2DSSCs sensitized 4.Discussion We looked at how well N749 black dye-in solar cells work with a dichloromethane (DCM) solvent and a TiO2 photoanode. We used two different electron concentrations in the system because we thought that the concentration would have a great effect on how well the cells worked with the same solvent. Table 1 indicates that electronic current is influenced by the strength of the electronic coupling and carrier concentration of the N749-TiO2 solar cell. We can find that the current increases upon increasing the strength of the electronic coupling from 0.1 to 1.5 eV. The concentration change of the electron-transfer cross-interface is related to the current density of N749- TiO2 devices and is equal to the product of how well they work and how many electrons they transfer. As seen in Table 2, the current increased alternatively with an increased concentration of carrier in Table 2. In contrast, the reorganization energy (eV) provided the system with the required energy of about 0.27 eV to yield charge injection quantum, which means the system needs less energy than the reconfiguration system to start the electron transfer process from excited levels of N749 dye to the conduction band in TiO2 semiconductor. A simple donor- acceptor model has been established that allows for the description of the kinetics of electronic current through system devices. In fact, the electronic transfer behavior is limited by the potential at the interface, but the effective transition energy supplied by the energy to transfer due to polar media is a function of the dielectric constant and refractive index. The current density J increased Variables The electronic concentration 3.5 Γ— 10181/π‘π‘š3 4.5 Γ— 10181/π‘π‘š3 𝐽𝑆𝑐(π‘šπ΄/π‘π‘š2) 60.54 78.78 π‘‰π‘œπ‘ Volt 0.864 0.867 π½π‘š(π‘šπ΄/π‘π‘š2) 9.545 13.57 π‘‰π‘š Volt 0.7324 0.735 F.F 0.134 0.146 efficiency 6.990 9.974 IHJPAS. 37 (1) 2024 194 when the concentration increased for all strength couplings in Table 2.A larger efficiency of solar cells is indeed expected when the carrier concentration of the system increases. The current- voltage characteristic, in turn, was what determined the efficiency. Also, the current density is affected by the transition energy and the strength of the coupling of electrons; as the strength of the coupling increases, so does the current density in devices that use solvent media. The decreases in transition energy indicated decreased potential at the interface and increases in electron transfer for large photocurrents. Upon excitation of the N749 dye, the current density of N749- TiO2 is large at 4.5 compared with 3.5, which indicates an increase in electrons through the interface of the N749-TiO2 device with DCM solvents. Another important parameter affecting the performance of solar cells is the strength of the coupling. Furthermore, the significant role of the increased current density as a result of increasing the strength of the coupling of charge transfer and recombination was assessed by reorganization energy with both concentrations of N749/TiO2 working in a DCM solvent medium, where the oxidation-reduction reaction between N749dye- and TiO2 is used as an index to explain the charge transfer effect of the solar cell system. As can be seen, the currents were calculated in units (π‘šπ΄/π‘π‘š2) in Table (4) to estimate the efficiency, the current versus voltage is listed in Table 3 and Figure 2. From the data in Table 4, the average open-circuit photovoltage π‘‰π‘š(Volt) and current π½π‘š( π‘šπ΄ π‘π‘š2) are estimated from Figure 2 and formulated in Table 4. The performance of solar cells affects the strength of electronic coupling, and increasing the strength of electronic coupling plays a significant role in the increased current density. The recombination process is assessed by transition energy, strength of electronic coupling, and the carrier concentration of N749/ TiO2 operation in the DCM media. Data results reported in Figures 2A and 2B show that in pure DCM solvent, the average open-circuit photovoltage Vm(Volt) and current Jm ( π‘šπ΄ π‘π‘š2) estimated from Figure 2 are listed in Table 4. The efficiency of the N749-TiO2 calculated increased with carrier concentration increases, and the two curves closely matched the behaviour observed. To study the influence of carrier concentration during the optimization process, we take two values of carrier concentration in the cells 3.5 Γ— 1018 1/π‘π‘š3 and 4.5 Γ— 1018 1/π‘π‘š3, respectively, keep the distance between the N749 and TiO2 constant with the DCM solvent. It is clear that Eq. (1) indicates that efficiency is proportional to current density, and efficiency increases with an increase in current density and vice versa. As can be seen, the efficiency increased from 6.990 to 9.974 for the N749-TiO2 sensitised DSSCs. The increase in the concentration of electrons leads to an increase in current and efficiency. Table 4 shows the increases in efficiency with increasing concentration from 3.5 Γ— 1018 1/πΆπ‘š3to 4.5 Γ— 1018 1/πΆπ‘š3with transition energy for the N749/TiO2 system. The influence of electronic current is limited to the fill factor, efficiency and characteristic of the cell. Moreover, the concentration and strength of electronic coupling were influenced by Voc, Jsc, FF, and efficiency, as summarized in Table 4. The peak of both the current density and voltage difference of the solar cell indicates of the electronic recombination at a given concentration value. As shown in table 4, in the solar cell of concentration 3.5 Γ— 10181/πΆπ‘š3, the peak-to-peak voltage and current density differences in the solar cell of concentration 4.5 Γ— 10181/πΆπ‘š3 are 0.003 V and 18.24 π‘šπ΄ π‘π‘š2, respectively. From the data in Table 3, the average current and open-circuit photo voltage (Voc) are estimated and formulated in Table 4. However, the fact that the voltage difference and peak current density both rise as the carrier concentration does suggests that there is more charge recombination, which makes the solar cell more efficient. The parameters of photovoltaic in Table 4 show that Voc, Jsc, IHJPAS. 37 (1) 2024 195 and efficiency increase with increasing the concentration of electrons, and decreasing the F.F further results in an increase in overall solar cell performance. These results are in agreement with the experimental results of I-V characteristic behavior in ref. [34]. 5. Conclusion In summary, a simple donor-acceptor model has been used to study and evaluate the current density, fill factor, and efficiency of a heterojunction N749-TiO2 device with DCM solvent for its potential in photovoltaic solar cell applications. The current density and efficiency in N749-TiO2 devices are largely influenced by the carrier concentration and strength of the electronic coupling at limited transition energy. The efficiency was significantly enhanced from 6.990 to 9.974. The corresponding enhancement in efficiency can be attributed to the increased electron concentration in a system with limited transition energy, leading to an increase in electron transfer cross in N749- TiO2 heterojunction devices, which in turn enhanced the I-V characteristic, fill factor, and efficiency of the solar cell. Acknowledgement I extend my thanks to the College of Education for pure science Ibn Al-Haitham, University of Baghdad for providing assistance to complete this work by opening private laboratories and providing scientific facilities by the staff of the Physics Department to help support the research project. Conflict of Interest The authors declare that they have no conflicts of interest. Funding: None. References 1. Bo, C.; Yongjian, Z.; Junfeng, F.; Cong, H.; Tianyi, M.; Hui, P.;Highly efficient g-C3N4 supported ruthenium catalysts for the catalytic transfer hydrogenation of levulinic acid to liquid fuel g-valerolactone, Renewable Energy 2021,177 , 652 - 662. 2. Jie, D.; Yafeng, L.;Junxiu, W.; Yuan, J. C.; Mingdeng, W.; Improving the photovoltaic performance of Zn2SnO4 solar cells by doping Sr2+/Ba2+ ions: Efficient electron injection and transfer" Solar Energy. 2018, 165,122–130 . 3. Tajamul, H. S.; Wei, W.; Techno economic Analysis of Dye Sensitized Solar Cells ( DSSCs) with WS2/Carbon Composite as Counter Electrode Material Inorganics 2022,10,191. https://doi.org/10.3390/inorganics10110191. 4. Hadi, J. M.; RafahI.,N. A.; Electron Transfer At Semiconductor / Liquid Interfaces Ibn Al- Haitham J. For Pure & Appl. Sci, 2009,22,2. 5. Hadi, J. M.; Al-Hakany, J. S.; theoretical calculation of rate constant of electron transfer accros N3/TiO2 Sensitized interface solar cell. Ibn Al- Haitham J. For Pure & Appl. Sci , 2012,25, 2, 160-169, 6. Hadi, J. M.; Alshafaay, B.; Mohsin, A. H.; Ahmed, M. A.; Abbas, K. S.; Raad, H. M.; Rawnaq, Q. G.; Shatha, H. M.; Theoretical Discussion of Electron Transport Rate Constant TCNQ / Ge and TiO2 System . IOP Conf. Series: Journal of Physics: Conf. Series. 2018, 1003 . 012122. 7. Hadi, J. M.; Mohsin. A. H.; Mudhar, S. A.; Rafah, I. N.; Sarab, S.; A Theoretical Study of Charge Transport y at Au/ ZnSe and Au/ZnS Interfaces Devices . Ibn Al- Haitham J. For Pure & Appl. Sci. 2014, 27, 1-13 https://doi.org/10.3390/inorganics10110191 https://doi.org/10.3390/inorganics10110191 https://scholar.google.com/scholar?cluster=6729061081327634533&hl=en&oi=scholarr IHJPAS. 37 (1) 2024 196 8. Hadi, .J. M.; Muhsin .A. H.; Calculated of the Rate Constant of Electron Transfer in TiO2- Safranine Dye System . Ibn Al- Haitham J. For Pure & Appl. Sci , 2011, 24(3), 23- 33 9. Michael, G.; ReviewDye-sensitized solar cells "Journal of Photochemistry and Photobiology C: Photochemistry Reviews . 2003, 4 , 145–153. 10. Villanueva, C. J.; Oskam, G.; Anta, J. A.; A simple numerical model for the charge transport and recombination properties of dye-sensitized solar cells: A comparison of transport-limited and transfer-limited recombination. Solar Energy Materials & Solar Cells. 2010, 94, 45–50 . 11. Aghazada, S.; Nazeeruddin, M. K.; Ruthenium complexes as sensitizers in dye-sensitized solar cells. Inorganics. 2018,6, 52. 12. Quanyou , F.; Hong, W.; Gang, Z.; Zhong, W.; Effect of deoxycholic acid on performance of dye-sensitized solar cell based on black dye. Front. Optoelectron. China 2011, 4, 1, 80–86. DOI: 10.1007/s12200-011-0209-y. 13. Deng, K.; Cole, J. M.; Rawle, J.L.; Nicklin, C.; Chen, H.; Yanguas-Gil, A.; Elam, J.W.; Stenning, G.B. Dye nanoaggregate structures in MK-2, N3, and N749 dye center dot center dot center dot TiO2 interfaces that represent dye-sensitized solar cell working electrodes. Acs Appl. Energy Mater. 2020, 3, 900–914. 14. Muhammad, T.; Ikram, U. D.; Muhammad, Z.; Fakhra, A.; Fazal, W.; Zahid, G.; Mahidur, R. S.; Sajad, Ali.; Sawal, H.; Md A.; Ioannis Kymissis Thin Films Characterization and Study of N749-Black Dye for Photovoltaic Applications . Coatings 2022, 12, 1163. https://doi.org/10.3390/coatings12081163 15. Yaxin, D.; Shuxian, L.; Xin, L.; Rui, W.; HI-assisted fabrication of Sn-doping TiO2 electron transfer layer for air-processed perovskite solar cells with high efficiency and stability. Solar Energy Materials & Solar Cells. 2020 ,215 , 110594. 16. Kun-Mu, L.; Vembu, S.; Kuo-Chuan, H.; A study on the electron transport properties of TiO2 electrodes in dye-sensitized solar cells. Solar Energy Materials & Solar Cells 2007, 23 1416– 1420 . 17. Saeed, U. K.; Giacomo, L.; Xiao, L.; Michael, A.; Fusella, G.; D’Avino Luca Muccioli, Alyssa N. Brigeman, Bjoern Niesen, Terry Chien-Jen Yang, Yoann Olivier, Jordan T. Dull, Noel C. Giebink, David Beljonne, and Barry P. Rand"Multiple Charge Transfer States in Donorβˆ’Acceptor Heterojunctions with Large Frontier Orbital Energy Offsets"Chem. Mater. 2019, 31, 6808βˆ’6817. 18. Manjeev, S.; Ravi, K. K.; Theoretical exploration of 1,3-Indanedione as electron acceptor-cum- anchoring group for designing sensitizers towards DSSC applications . Solar Energy. 2022, 237, 456–469. 19. Ali, K.; Fatemeh, R. A.; Mohammad, H. A.; Generation and combination of the solar cells: A current model review. Energy Sci Eng. 2019, 1–18. 20. Roghayeh, F.; Hossain, M. M.; Davood, F.; Tuning the spin transport properties of ferrocene- based single-molecule junctions by different linkers Chemical Physics Letters. 2018, 704, 37– 44 21. Taif, S. A.; Mohammad, H. J.; Hadi. J. M.; Al-Agealy, Fatimah, B. A.; Chi, C. Y.; An Investigation of the Fill Factor and Efficiency of Molecular Semiconductor Solar Cells. Materials Science Forum,2015 ,1039, 22. Sarmad, S. A.; Hadi, J. M.; Saadi, R. A.; Theoretical Evaluation of Flow Electronic Rate at Au /TFB Interface. Journal of Physics: Conference Series. 2021, 1879 ,032096 IOP Publishing doi:10.1088/1742-6596/1879/3/032096. https://doi.org/ IHJPAS. 37 (1) 2024 197 23. Al-Agealy, H. J,; Hassoni, M. A.; Atheoretical study of the effect of the solvent tyoe on the reorganization energies of dye /semiconductor system interface. Ibn Al- Haitham J. For Pure & Appl. Sci, 2010, 23, 3, 51-57. 24. Hadi, J. M.; Al-Agealy. Mohammed, Z. F.; Electron Transfer At Metal/Molecule Interface . Ibn Al- Haitham J. For Pure & Appl. Sci. 2013, 26 ,3, 22-34. 25. William, J. R.; Arnel, M. F.; Nathan, S. L.; Fermi Golden Rule Approach to Evaluating Outer- Sphere Electron-Transfer Rate Constants at Semiconductor/Liquid Interfaces. J. Phys. Chem. B 1997, 101, 11152-11159. 26. Christophe, B.; Gerrit, B.; Emad, M.; Anders, H.; Interfacial Electron-Transfer Dynamics in Ru(tcterpy)(NCS)3-Sensitized TiO2 Nanocrystalline Solar Cells, J. Phys. Chem. B 2002, 106, 49, 12693–12704.DOI:10.1021/jp0200268 27. Methaq, A. R.; Hadi, J. M.; Al-Agealy Theoretical calculation of the electronic current at N3 contact with TiO2 bsolar cell devices AIP Conference Proceedings. 2022, 2437, 020060 https://doi.org/10.1063/5 .0092690,2437 ,020060,2022. 28. William, M. H.; CRC Handbook of Chemistry and Physics. First Published2014eBook Published30 June 2014 Pub. Location Boca Raton Imprint CRC Press DOIhttps://doi.org/10.1201/b17118. 29. Yow-Jon, L.; Shih-Hung, Y.; Carrier transport and photoresponse for heterojunction diodes based on the reduced graphene oxide-based TiO2 composite and p-type Si. Appl. Phys. A .2014, 116,91–95 DOI 10.1007/s00339-013-8166-5 30. Zhe, X.; Jihuai, W.; Tongyue, W.; Quanlin, B.; Xin, H.; Zhang, L.;Jianming Lin, Miaoliang Huang, Yunfang Huang, and Leqin Fan. Tuning the Fermi Level of TiO2 Electron Transport Layer through Europium Doping for Highly Efficient Perovskite Solar Cells, Energy Technol. 2017, 5, 1820–1826. 31. Mohsen, S.; Mohaddeseh, A.; Mohammad, R. M.; First principles study of hydrogen doping in anatase TiO2i Eur. Phys. J. Appl. Phys. 2014,67,30401.DOI: 10.1051/epjap/2014130582 . 32. Hadi, J. M.; Al-Agealy, Nada, A. S.; Theoretical studies of el4ctronic transition characteristics of senstizer molecule dye N3-SnO2 semiconductor interface . AIP Conference Proceedings. 2022, 2437(1),020062 33. Jiawei, Z.; Hangtian, Z.; Qichen, S.; Zhiwei, D.; Jun, M.; Zhifeng, R.; Gang, C.; Mobility enhancement in heavily doped semiconductors via electron cloaking. Nature Communications. 2022, 13,2482 https://doi.org/ 10. 1038 /s41467-022-29958-2 . 34. Ganesh, K.; Ramesh, K. C.; Suresh, T.; Jae, H. Kim, J. Ja.; Malapaka, C.; Jae, H. J.; A New Series of EDOT Based Co-Sensitizers for Enhanced Efficiency of Cocktail DSSC:A Comparative Study of Two Different Molecules 2019, 24, 3554. doi:10.3390/molecules24193554. https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Christophe++Bauer https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Gerrit++Boschloo https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Emad++Mukhtar https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Anders++Hagfeldt https://doi.org/10.1063/5%20.0092690,2437%20,020060,2022 https://doi.org/10.1201/b17118 https://www.researchgate.net/lab/Alagealy-Hadi-JabbarLab-Hadi-Jabbar-Alagealy https://www.researchgate.net/scientific-contributions/Nada-Adnan-Sabri-2201404635?_sg%5B0%5D=OqUJX5Yx6H8p8iqFu6pyNOaPuHv4n1pHMgt5CJAJIsKMjHEaFAKRemjDKJWsFNOFXMwgJH4.7BjfqHqGaM-i1WkOqZ9iOC6MMEOC_1xd0QUmaPJFScEKo2506WNCj1Ilvrg7a-GupU8pcpmGRmmxa6Gje30W2g&_sg%5B1%5D=9aVTAsMSUzF-ThWjfZuqpL1cyKq9B1PkoxC4q9c61zEH2jM_LZo9ESOCf2SlcMJriaQomPE.zehBNjOI6JMifFA9lZfER7vCpt2yq0Lb6PUl7Qkcy_GIBi1H3L0Qfxy6-QKELQaKgCMx2edGTiYvmdUFhmdvMw https://www.researchgate.net/journal/AIP-Conference-Proceedings-1551-7616 https://doi.org/%2010.%201038