Influence of alkyl dihalide gelators on solidification of dye-sensitized solar cells

Quasi-dye-sensitized solar cells were prepared by using ionic liquid-type electrolytes and gelators consisting of polyvinylpyridine and alkyl dihalides. Gelation occurred by the reaction of polyvinylpyridine and alkyl dihalides. When the chain length of the dihalides was varied, the short-circuit current (J_sc) increased with an increase in the chain length. However, the open-circuit voltage (V_oc) and fill factor (ff) slightly decreased. The increase in J_sc was brought about by the decrease in the interfacial resistances between the gel electrolyte and the counter electrode. In addition, the increase in the J_sc was explained by increases in the apparent diffusion coefficient of I⁻/I₃⁻ when the chain length increased. Decreases in V_oc and ff were explained by back-electron transfers from TiO₂ to iodine in the electrolytes. V_oc of the cells solidified by alkyldiiodide was lower than that solidified by alkyldichloride or alkyldibromide. It was explained by negatively shifted redox potential of I⁻/I₃⁻, compared with those for Cl⁻/Cl₂ or Br⁻/Br₂.     

Binary room-temperature ionic liquids based electrolytes solidified with SiO2 nanoparticles for dye-sensitized solar cells

In this study, binary ionic liquids (bi-IL) of imidazolium salts containing cations with different carbon side chain lengths (C = 2, 4, 6, 8) and anions such as iodide (I⁻), tetrafluoroborate (BF₄⁻), hexafluorophosphate (PF₆⁻) and trifluoromethansulfonate (SO₃CF₃⁻) were used as electrolytes in dye-sensitized solar cells (DSSCs). On increasing the side chain length of imidazolinium salts, the diffusion coefficients of I₃⁻ and the cell conversion efficiencies decreased; however, the electron lifetimes in TiO₂ electrode increased. As for different anions, the cell which contains 1-butyl-3-methyl imidazolium trifluoromethansulfonate (BMISO₃CF₃) electrolyte has better performance than those containing BMIBF₄ and BMIPF₆. From the impedance measurement, the cell containing BMISO₃CF₃ electrolyte has a small charge transfer resistance (R_ct2) at the TiO₂/dye/electrolyte interface. Moreover, the characteristic frequency peak for TiO₂ in the cell based on BMISO₃CF₃ is less than that of BMIBF₄ and BMIPF₆, indicating the cell with bi-IL electrolyte based on BMISO₃CF₃ has higher electron lifetime in TiO₂ electrode. Finally, the solid-state composite was introduced to form solid-state electrolytes for highly efficient DSSCs with a conversion efficiency of 4.83% under illumination of 100 mW cm⁻². The long-term stability of DSSCs with a solidified bi-IL electrolyte containing SiO₂ nanoparticles, which is superior to that of a bi-IL electrolyte alone, was also presented.     

Highly efficient photon-to-electron conversion with mercurochrome-sensitized nanoporous oxide semiconductor solar cells

Dye-sensitized solar cells based on nanoporous oxide semiconductor thin films such as TiO₂, Nb₂O₅, ZnO, SnO₂, and In₂O₃ with mercurochrome as the sensitizer were investigated. Photovoltaic performance of the solar cell depended remarkably on the semiconductor materials. Mercurochrome can convert visible light in the range of 400–600 nm to electrons. A high incident photon-to-current efficiency (IPCE), 69%, was obtained at 510 nm for a mercurochrome-sensitized ZnO solar cell with an I⁻/I₃⁻ redox electrolyte. The solar energy conversion efficiency under AM1.5 (99 mW cm⁻²) reached 2.5% with a short-circuit photocurrent density (J_sc) of 7.44 mA cm⁻², a open-circuit photovoltage (V_oc) of 0.52 V, and a fill factor (ff) of 0.64. The J_sc for the cell increased with increasing thickness of semiconductor thin films due to increasing amount of dye, while the V_oc decreased due to increasing of loss of injected electrons due to recombination and the rate constant for reverse reaction. Dependence of photovoltaic performance of mercurochrome-sensitized solar cells on semiconductor particles, light intensity, and irradiation time were also investigated. High performance of mercurochrome-sensitized ZnO solar cells indicate that the combination of dye and semiconductor is very important for highly efficient dye-sensitized solar cells and mercurochrome is one of the best sensitizers for nanoporous ZnO photoelectrode. In addition, a possibility of organic dye-sensitized oxide semiconductor solar cells has been proposed as well as one using metal complexes.     

Crystal formation involving 1-methylbenzimidazole in iodide/triiodide electrolytes for dye-sensitized solar cells

Nitrogen heterocyclic compounds, such as N-methylbenzimidazole (MBI), are commonly used as additives to electrolytes for dye-sensitized solar cells (DSCs), but the chemical transformation of additives in electrolyte solutions remains poorly understood. Solid crystalline compound (MBI)₆(MBI-H⁺)₂(I⁻)(I₃⁻) (1) was isolated from different electrolytes for DSCs containing MBI as additive. The crystal structure of 1 was determined by single-crystal X-ray diffraction. In the crystal structure, 1 contains neutral and protonated MBI fragments; iodide and triiodide anions form infinite chains along the crystallographic a-axis. The role of the solvent and additives in the crystallization process in electrolytes is discussed.     

Photoelectrochemical cells consisting of phenosafranin-EDTA and different redox couples with illuminated semiconductor electrode

A photoelectrochemical cell, semiconductor (In₂O₃)/dye-EDTA//redox couple/Pt, has been developed using phenosafranin dye and EDTA aqueous solution in one compartment and Cu⁺/Cu²⁺, Fe(CN)₆⁴⁻/Fe(CN)₆³⁻, I⁻/I₂, and Fe²⁺/Fe³⁺ in the other compartment of an H-shaped cell separated by a glass membrane. All the cell characteristics such as open-circuit voltage, short-circuit current, fill factor, power efficiency, and solar energy efficiency have been determined. There is 2-3-fold increase of efficiency of the cell compared to the same cell with illuminated Pt electrode.     

Photoelectrochemical properties of rhodamine-C18 sensitized p-CuSCN photoelectrochemical cell (PEC)

Surface states in p-type Cu^I thiocyanate (CuSCN) were detected from I−V characteristics, diffuse reflectance spectra, and photocurrent action spectra. The p-CuSCN films are sensitized by rhodamine with octadecyl-alkyl chain, and the sensitized photocurrent is observed with the visible light illumination. In spite of the surface states in p-CuSCN, the maximum photocurrent quantum efficiency (gf_max) at λ = 560 nm, in 1 × 10⁻⁴ M KI + I₂ solution, pH = 6, reached 8.6%, where the surface dye concentration of photocathode Cu/p-CuSCN/Dye was 1.1 × 10¹⁴ molecules cm⁻². Photocathodes were biased at −0.25 V versus AgCl/Ag to give a zero dark current. From the variation of φ values with the reduction potential of electron acceptors, the cathodic sensitization mechanism presented is further confirmed.     

A polymer gel electrolyte composed of a poly(ethylene oxide) copolymer and the influence of its composition on the dynamics and performance of dye-sensitized solar cells

A polymer gel electrolyte composed of a poly(ethylene oxide) derivative, poly(ethylene oxide-co-2-(2-methoxyethoxy) ethyl glycidyl ether), mixed with gamma-butyrolactone (GBL), LiI and I₂ is employed in dye sensitized solar cells (DSSC). The electrolyte is characterized by conductivity experiments, Raman spectroscopy and thermal analysis. The influence of the electrolyte composition on the kinetics of DSSC is also investigated by transient absorption spectroscopy (TAS). The electrolyte containing 70 wt.% of GBL and 20 wt.% of LiI presents the highest conductivity (1.9 × 10⁻³ S cm⁻¹). An efficiency of 4.4% is achieved using this composition. The increase in I_SC as a function of GBL can be attributed an increase in the mobility of the iodide (polyiodide) species. The increase in the yield of the intermediate species, I₂⁻, originating in the regeneration reaction, is confirmed by TAS. However, the charge recombination process is faster at this composition and a decrease in the V_oc is observed. Photovoltage decay experiments confirm an acceleration in charge recombination for the DSSC assembled with the electrolyte containing more GBL. Raman investigations show that in this electrolyte the I₅⁻/I₃⁻ ratio is higher. Theoretical calculations also indicate that the I₅⁻ species is a better electron acceptor.     

Enhancing the performance of dye-sensitized solar cells by incorporating nanosilicate platelets in gel electrolyte

Two kinds of gel-type dye-sensitized solar cells (DSSCs), composed of two types of electrolytes, were constructed and the respective cell performance was evaluated in this study. One electrolyte, TEOS-Triton X-100 gel, was based on a hybrid organic/inorganic gel electrolyte made by the sol–gel method and the other was based on poly(vinyidene fluoride-co-hexafluoro propylene) (PVDF-HFP) copolymer. TEOS-Triton X-100 gel was based on the reticulate structure of silica, formed by hydrolysis, and condensation of tetraethoxysilane (TEOS), while its organic subphase was a mixture of surfactant (Triton X-100) and ionic liquid electrolytes. Both DSSC gel-type electrolytes were composed of iodine, 1-propy-3-methyl-imidazolium iodide, and 3-methoxypropionitrile to create the redox couple of I₃⁻/I⁻. Based on the results obtained from the I–V characteristics, it was found that the optimal iodine concentrations for the TEOS-Triton X-100 gel electrolyte and PVDF-HFP gel electrolyte are 0.05 M and 0.1 M, respectively. Although the increase in the iodine concentration could enhance the short-circuit current density (J_SC), a further increase in the iodine concentration would reduce the J_SC due to increased dark current. Therefore, the concentration of I₂ is a significant factor in determining the performance of DSSCs.In order to enhance cell performance, the addition of nanosilicate platelets (NSPs) in the above-mentioned gel electrolytes was investigated. By incorporating NSP-Triton X-100 into the electrolytes, the J_SC of the cells increased due to the decrease of diffusion resistance, while the open circuit voltage (V_OC) remained almost the same. As the loading of the NSP-Triton X-100 in the TEOS-Triton X-100 gel electrolyte increased to 0.5 wt%, the J_SC and the conversion efficiency increased from 8.5 to 12 mA/cm² and from 3.6% to 4.7%, respectively. However, the J_SC decreased as the loading of NSP-Triton X-100 exceeded 0.5 wt%. At higher NSP-Triton X-100 loading, NSPs acted as a barrier interface between the electrolyte and the dye molecules, hindering electron transfer, hence, reducing the cell's photocurrent density. The same behavior was also observed in the PVDF-HFP gel electrolyte DSSC system.     

Photosensitization of nanocrystalline TiO2 films by a polymer with two carboxylic groups, poly (3-thiophenemalonic acid)

Photovoltaic devices were assembled using a conducting polymer; poly (3-thiophenemalonic acid) sensitized TiO₂ electrodes and an electrolyte containing I₃⁻/I⁻ redox couple. This cell exhibited a short-circuit photocurrent (J_sc) of 6.65 mA cm⁻², an open circuit voltage (V_oc) of 355 mV and an efficiency of 1.5% under the illumination of 100 mW cm⁻² (AM 1.5). Addition of an ionic liquid, 1-methyl 3-n-hexylimidazolium iodide, into the electrolyte led to an improvement in the cell performances, achieving an overall efficiency of 1.8% under the same illumination. The average cell characteristics of the later devices are , with a fill factor of 0.65.     

Investigation of influence of redox species on the interfacial energetics of a dye-sensitized nanoporous TiO2 solar cell

The photoelectrochemical behaviours of dye-sensitized nanoporous TiO₂ solar cells are studied under influences of light intensity, redox couple concentration, temperature, different cations and water in the nonaqueous solution. The value of the ideality factor of dyed nanoporous TiO₂ film is determined to be 1.08. The diode behaviour of the dyed nanoporous TiO₂ film approaches an ideal rectification characteristic. The rate of the reaction of I₃⁻ with the electron at the surface of the dyed TiO₂ electrode is of first order, like the reduction of I₃⁻ at the Pt electrode. By analysis of the relationship of the photovoltage with temperature, the activation energies of the back-reaction for dyed nanoporous TiO₂ electrodes in different solutions are obtained. Cations of different kinds and water are found to modify the interfacial properties of the dyed TiO₂ electrode. Finally, a quantitative relationship between the short-circuit photocurrent and the light intensity, the I₃⁻ concentration is obtained and used to explain the diffusion-controlled photocurrent. The corrected diffusion coefficient of I₃⁻ is 5.4–6.2×10⁻⁶ cm²/s in a CH₃OCH₂CN solution.     

The effect of temperature on the charge transport and transient absorption properties of K27 sensitized DSSC

The charge transport and transient absorption properties of K27 dye-sensitized solar cell have been investigated. The current–voltage (I–V) characteristics of the solar cell were analyzed by the thermionic emission theory. The ideality factor, barrier height and series resistance values of the solar cell were determined. The ideality factor higher than unity indicated the presence of non-ideal behavior in current–voltage characteristics at lower voltages. At the higher voltages, the charge transport mechanism for the solar cell is controlled by a space-charge limited current (SCLC) with an exponential distribution of traps. The built potential values are determined from capacitance–voltage plot and were found to be 0.14 and 0.58 V, respectively. The transient absorption data of K27 DSSC device suggest that the fast and slow phases are taking place. While the fast phase corresponds to regeneration of the dye cation by the iodide redox couple, the slow phase corresponds to the decay of long-lived I₂⁻/ TiO₂ electron absorption. The best conversion efficiency for K27 DSSC was found to be 0.317% under 100 mW/cm² (FF=0.584, V_oc=480 mV, I_sc=1.131 mA). The photocurrent results indicate that the photogeneration of charge carriers is a monophotonic process.     

High-performance carbon counter electrode for dye-sensitized solar cells

Here, we reported that a new carbon electrode prepared with an activated carbon was superior to a Pt sputtered electrode as the counter electrode of dye-sensitized solar cells. The photovoltaic performance was largely influenced by the roughness factor of carbon electrode. The open-circuit voltage increased by about 60 mV using the carbon counter electrode compared to the Pt counter electrode because of positive shift of the formal potential for I₃⁻/I⁻ couple.     

Semiconductor-sensitized solar cells based on nanocrystalline In2S3/In2O3 thin film electrodes

A possibility of semiconductor-sensitized thin film solar cells have been proposed. Nanocrystalline In₂S₃-modified In₂O₃ electrodes were prepared with sulfidation of In₂O₃ thin film electrodes under H₂S atmosphere. The band gap (E_g) of In₂S₃ estimated from the onset of the absorption spectrum was approximately 2.0 eV. The photovoltaic properties of a photoelectrochemical solar cell based on In₂S₃/In₂O₃ thin film electrodes and I⁻/I₃⁻ redox electrolytes were investigated. This photoelectrochemical cell could convert visible light of 400–700 nm to electron. A highly efficient incident photon-to-electron conversion efficiency (IPCE) of 33% was obtained at 410 nm. The solar energy conversion efficiency, η, under AM 1.5 (100 mW cm⁻²) was 0.31% with a short-circuit photocurrent density (J_sc) of 3.10 mA cm⁻², a open-circuit photovoltage (V_oc) of 0.26 V, and a fill factor ( ff ) of 0.38.     

Influence of 1-methyl-3-propylimidazolium iodide on I3/I redox behavior and photovoltaic performance of dye-sensitized solar cells

In this paper, we investigated redox behavior of I⁻ and I₃⁻ in 3-methoxypropionitrile (MePN) with different concentrations of 1-methyl-3-propylimidazolium iodide (MPII) and iodine by cyclic voltammetry and electrochemical impedance spectroscopy. It was found that the apparent diffusion coefficient (D) values of triiodide and iodide ions, the serial resistance (R_s) and the charge-transfer resistance (R_ct) decreased slightly with increase of the concentration of I₃⁻ in MePN containing 1.4 M MPII. Moreover, the R_ct and D values of triiodide and iodide ions affection on dye-sensitized solar cells (DSCs) should be considered as a whole. The DSCs with the electrolyte (1.4 M MPII, 0.1 M LiI, 0.1 M I₂, 0.5 M TBP, in MePN) gave short circuit photocurrent density (J_sc) of 14.44 mA/cm², open circuit voltage (V_oc) of 0.72 V, and fill factor (FF) of 0.69, corresponding to the photoelectric conversion efficiency (η) of 7.17% under one Sun (AM1.5).     

Improved efficiency of dye sensitized solar cells by treatment of the dyed titania electrode with alkyl(trialkoxy)silanes

Dye sensitized cells are improved by passivation of the dyed titania electrode by silanizing the dyed surface with alkyl(trialkoxy)silanes. In cells utilizing the ruthenium dye bis(4,4′-dicarboxy-2,2′-bipyridine)bis(thiocyanato)ruthenium (II) (N3) optimum performance is produced by treating the dyed electrode with octyl(trimethoxy)silane in dry toluene. Such treatment increases efficiency as much as 66%, raising cells utilizing an ionic liquid electrolyte with high [I₃⁻] from 1.7% to 2.8% (1 sun AM1.5). The effect on dark currents and on cell efficiencies of this silanization and of dyeing both the FTO and TiO₂ surfaces is discussed for ionic liquid and acetonitrile based electrolytes.     

Performance enhancement of dye‐sensitized solar cells via cosensitization of ruthenizer Z907 and organic sensitizer SQ2

Cosensitization is a highly effective technique to enhance the photovoltaic performance of a dye‐sensitized solar cell. The main objective of this work is to improve the performance of dye‐sensitized solar cell using cosensitization approach and investigation of the effect of the organic cosensitizer concentration on the power conversion efficiency of the fabricated solar cell devices. In this work, Z907, a ruthenium dye, has been cosensitized with SQ2, an organic sensitizer, and an overall efficiency of 7.83% has been achieved. The fabricated solar cells were evaluated using UV‐Vis spectroscopy, current‐voltage (I‐V) characteristics, and electrochemical impedance spectroscopy analysis. Our results clearly indicate that the concentration of organic cosensitizer strongly affects the photovoltaic performance of fabricated solar cells. Upon optimization, the cell fabricated with 0.3 mM Z907 + 0.2 mM SQ2 dye solution demonstrated J_sc (mA/cm²) = 21.38, V_oc (mV) = 698.37, FF (%) = 52.46, and power conversion efficiency of η (%)  = 7.83 under standard AM1.5G 1 sun illumination (100 mW/cm²). It was observed that the efficiency of cosensitized solar cells is significantly superior than that of individual sensitized solar cells (Z907 [η  = 5.08%] and SQ2 [η  = 1.39%]). This enhancement in efficiency could be attributed to the lower electron‐hole recombination rate, decrease in competitive absorption of I^?/I^?₃, and less dye aggregation because of the synergistic effect in cosensitized solar cells.     

A technique to compare polythiophene solid-state dye sensitized TiO2 solar cells to liquid junction devices

In this communication, we report on a technique to fabricate solid-state polythiophene-based dye sensitized solar cells (DSSCs) that can be directly compared to analogous liquid junction devices. The device configuration is based on non-porous TiO₂ thin films and one of the three undoped polythiophene hole conductors: poly[3-(11 diethylphosphorylundecyl) thiophene], P3PUT, poly(4-undecyl-2,2′-bithiophene), P4UBT, or poly(3-undecyl-2,2′-bithiophene), P3UBT. These polymers were spin coated and cast from organic solutions onto the TiO₂ films. The dense TiO₂ thin films (ca. 30 nm) were deposited on conductive glass via facile spray pyrolysis and sol–gel techniques. After that, cis-(SCN)₂ Bis(2,2′ bipyridyl-4,4′-dicarboxylate) ruthenium(II) (a.k.a. Ru N3 dye) was adsorbed on the TiO₂ surface, and the polythiophenes were utilized as hole conductors in a simplified solar cell geometry. The results were compared to the control DSSC device made with dense TiO₂ and a liquid electrolyte, or 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (a.k.a. Spiro-MeOTAD). The polythiophenes exhibited bandgaps in the range 1.9–2.0 eV, and HOMO energy levels of approximately 5 eV (vs. vacuum). The P3PUT DSSC device exhibited an AM1.5 V_OC=0.8 V, a J_SC=0.1 mA/cm², as well as an IPCE=0.5–1%. The AM1.5 short-circuit photocurrents and quantum efficiencies for DSSCs made with the polythiophenes, the Spiro-MeOTAD and the standard liquid electrolyte (I⁻/I₃⁻) were found to be identical within the limits of experimental uncertainty and reproducibility. Our results indicate that a solid-state replacement to the liquid junction is not necessarily limited by the fundamental aspect of hole transfer, one of the three fundamental aspects that must be met for an efficient DSSC. Rather than suggest that P3UBT or P4UBT could be used to create efficient “organic solar cells” with the exclusion of the Ru dye, we suggest that transparent thiophene compounds could be attractive candidates for high-surface area solid-state DSSCs, and that the technique presented can be applied to other hole conductors. It can allow a verification of one of the things necessary for the DSSC, so that parallel studies using high-surface area materials can proceed with confidence.     

On the use of triethylamine hydroiodide as a supporting electrolyte in dye-sensitized solar cells

For the first time, the application of a molten salt, triethylamine hydroiodide (THI), as a supporting electrolyte was investigated for the dye-sensitized solar cells (DSSCs). Titanium dioxide (TiO₂) electrode was modified by incorporation of high- and low-molecular weight poly(ethylene glycol) along with TiO₂ nanoparticles of two different sizes (300 nm (30 wt%) and 20 nm (70 wt%)). The highest apparent diffusion coefficient (D) of 8.12×10⁻⁶ cm² s⁻¹ was obtained for I⁻ (0.5 M of THI) from linear sweep voltammetry (LSV). Short-circuit current density (J_sc) increases with the concentration of THI whereas open-circuit potential (V_oc) remains the same. Optimum J_sc (19.28 mA cm⁻²) and V_oc (0.7 V) with a highest conversion efficiency (η) of 8.45% were obtained for the DSSC containing 0.5 M of THI/0.05 M I₂/0.5 M TBP in CH₃CN. It is also observed that the J_sc and η of the DSSC mainly relates with the D values of I⁻ and charge-transfer resistances such as R_ct1 and R_ct2 operating along Pt/TiO₂ electrolyte interface, obtained from LSV and electrochemical impedance spectroscopy (EIS). For comparison, tetraethylammonium iodide (TEAI) and LiI were also selected as supporting electrolytes. Though both the THI and TEAI have similar structures, replacement of one methyl group by hydrogen improves the efficiency of the DSSC containing the former electrolyte. Further, the DSSC containing THI exhibits higher J_sc and η than LiI (7.70%), from which it is concluded that THI may be used as an efficient and alternative candidate to replace LiI in the current research of DSSCs.     

Potential solar earth-water distillate yields in Africa

A model for predicting solar earth-water distillate yield for soil moisture contents up to saturation is presented. The model developed by join-point analysis for a 20 cm tall solar still with reflective interior siding is: Water Yield = C1(SR) + C2(T_MIN) + C3(T_MAX) − 30.65 + C4(T_MAX − 30.65) + C5(MC − 8.0 + C6(MC − 8.0 + I Where SR, T_MAX, T_MIN, and MC represent the total daily solar radiation, maximum and minimum daily temperatures, and soil moisture content, respectively. C1, C2, C3, C4, C5, and C6 are the regression coefficients in the predictive model, and I is the intercept. The model indicates that maximum yield can be obtained at 8% soil moisture. The equation is used to predict potential earth-water distillate yields for 8 locations in Africa. Four levels of soil moisture content (5, 10, 15, and 20% by dry weight), and 50% and 100% of clear-day solar radiation and appropriate temperature values are used. For the four tested soil moisture contents the predicted daily earth-water yields vary from a minimum of 0.56 1 m⁻²-day⁻¹ at 5% soil moisture and 50% solar radiation to a maximum of 2.12 1 m⁻²-day⁻¹ at 10% soil moisture and 100% solar radiation. Distillate yields increase as soil moisture content increases from 5 to 10%. Above 10% soil moisture, the earth-water yield decreases as the moisture content increases. Distillate yield varies with soil moisture in the following manner: Y_10% > Y_15% > Y_20% > Y_5%, where Y is the predicted yield.     

Density functional study of alkylpyridine–iodine interaction and its implications in the open-circuit photovoltage of dye-sensitized solar cell

A density functional theory (DFT) method was used to study the monomer and intermolecular charge-transfer complexes of 22 different alkylpyridines with diiodine. DFT calculations revealed that the σ* orbital of iodine interacts with the nitrogen lone pair in pyridines. The open-circuit photovoltage (V_oc) values of a bis(tetrabutylammonium)cis-bis(thiocyanato)bis(2,2′-bipyridine-4-carboxylic acid, 4′-carboxylate)ruthenium(II) (N719) dye-sensitized nanocrystalline TiO₂ solar cell with an I⁻/I₃⁻ redox electrolyte in acetonitrile using alkylpyridines additive were compared to computational calculations on the interaction between pyridines and I₂ by a DFT method. The optimized geometries, frequency analyses, Mulliken population analyses, and interaction energies suggest that the V_oc value of the solar cell is higher, the more alkylpyridine complexes with I₂.