Sensitizers For Solar Cells Research Articles

CONCEPTUAL DENSITY FUNCTIONAL THEORY [DFT] STUDY OF SOME ORGANIC DYES FOR THEIR USE AS SENSITIZERS IN MOLECULAR PHOTOVOLTAICS

Solar energy can be converted to electricity by photovoltaic and photo electrochemical cells, Dye-sensitized solar cell [DSSC] has been considered as a promising next generation solar cells. In this work, we used theoretical methods to studies the properties of some metal free organic dayes our aim was to make a correlation between some new Density Functional theory derived indexes and the efficiency of the organic dyes used as sensitizers in solar cells. The Density Functional Theory (DFT) calculations were done using the B3lyp hybrid functional level of theory and the 6–31G(d,p) basis set. This level of calculation was used to find the optimized molecular structure, the molecular orbitals energies, and the global properties, derived from Conceptual DFT our results show a good correlation between the DFT derived indices and the experimental efficiencies.

Vat Dye Safranin O- and Perylene-Based Conjugated Donor–Acceptor Polyimide as Sensitizer for Dye-Sensitized Solar Cells

Nanocrystalline TiO2 and conjugated polyimide are good composite materials for solar energy harvesting applications. Vat dyes have a specific high color fastness property with high wavelength absorption. By applying this property of vat dyes, we synthesized Safranin O and a perylene 3,4,9,10-tetracarboxylic dianhydride (PTCDA) based conjugated polyimide through the condensation polymerization technique. Synthesized polyimide was used to construct a TiO2–polymer composite material for dye-sensitized solar cells (DSSCs). The synthesized polyimide has good absorption properties, and a small bandgap of 2.23 eV, contains alternating electronaccepting–electrondonating units, and revealed high thermal stability. It shows good electrical properties, i.e., conductivity of the order of ∼10–4 S cm–1 and an activation energy of 0.1 eV before transition and 0.6 eV after transition, follows an Arrheniustype behavior, and has thermal transitions. Fabrication of electrodes and DSSC was performed for determining the photovoltaic properties of the synthesized polyimide. The obtained photovoltaic parameters, i.e., Jsc = 65 μAcm–2, Voc = 0.128 V, and FF = 0.36, demonstrated their successful use in dye-sensitized solar cells.

Extreme sensitivity of dye solar cells to UV‐induced degradation

AbstractPresent practice to avoid harmful effects of UV light on dye solar cells (DSC) is to use a UV filter. However, we show here that a standard 400 nm UV cutoff filter offers inadequate protection from UV‐induced degradation. DSCs that were exposed to only visible light by LED lamps maintained 100% of their initial efficiency after 3000 hours of exposure, whereas the efficiency of DSCs subjected to full light spectrum (Xenon arc lamp) with an efficient UV filter dropped down to 10% of their initial performance already after 1500 hours. Optical analysis of the UV filter confirmed that the amount of light transmitted below 400 nm was negligible. These observations indicate that (a) DSCs can be very sensitive to even minor amount of UV and (b) eliminating the effects of UV light on DSC stability cannot easily be avoided by a UV filter on top of the cell. A detailed analysis of the degradation mechanisms revealed that the culprit to loss of performance was accelerated loss of charge carriers in the electrolyte of the DSCs—a typical symptom of UV exposure. These results suggest that commonly used stability tests under LED illumination are insufficient in predicting the lifetime of DSCs in outdoor conditions. Instead, for such purpose, we recommend solar cell stability to be tested with a full light spectrum and with a suitable UV filter.

Effect of auxiliary donors and position of benzothiadiazole on the optical and photovoltaic properties of dithieno[3,2-b:2′,3′-d]pyrrole-based sensitizers

Organic dyes used as sensitizers in dye-sensitized solar cells offer endless opportunities for modulation of cell efficiency through structural diversifications. Despite the countless number of dyes developed, structure-property analysis by varying chromophores and their topology in dyes is useful to formulate design principles. Herein, we report six new organic dyes featuring dithienopyrrole (DTP), benzothiadiazole (BTD) and cyanoacrylic acid units. The effect of auxiliary donors such as triphenylamine or diphenylaminofluorene and the position of benzothiadiazole on the optical and photovoltaic properties were evaluated by appropriate design of dyes. Incorporation of additional donor enhanced the spectral response of the dyes by elongating the conjugation length and supplementing the donor-acceptor interaction. Moving the BTD unit from the position between DTP and acceptor (D-D-A-π-A) to a position between the auxiliary donor and DTP (D-A-D-A) altered the absorption as well as electrochemical properties. Theoretical calculations revealed that the later molecular configuration ensures sufficient overlap of HOMO and LUMO and facilitate the charge transfer propensity from arylamine donor to acceptor which is beneficial for light harvesting. Among the dyes, a D-A-D-A dye possessing triphenylamine exhibited highest power conversion efficiency (η = 7.57%). The structure-property relationship is supported by electron transfer kinetics elucidated by electrochemical impedance spectroscopic studies. The best performing dye displayed high charge recombination and sufficiently low charge transfer resistance in the device.

Spectroscopic, electrochemical and photophysical properties of the novel complex tetracyano-1,10-phenanthroline-5,6-dione-ruthenate(II) and its application as a sensitizer in solar cells

The new complex tetracyano-1,10-phenanthroline-5,6-dione-ruthenate(II) was synthesized as potassium and bis(triphenylphosphine)iminium salts and characterized by spectroscopic, electrochemical and photophysical techniques, with experimental results in agreement with quantum–mechanical calculations by Density Functional Theory. The structure of this anion was determined by Nuclear Magnetic Resonance. Although it emits weakly at room temperature in water with a lifetime in the nanosecond regime, the quinone moiety of the coordinated phenanthroline ligand allows its anchoring to mesoporous titanium dioxide films, thus leading to its application as a sensitizer in solar cells. Irradiated with a solar simulator, cells assembled with these dye-sensitized films, platinum as counter-electrodes and iodine/iodide redox mediators dissolved in acetonitrile or dimethylformamide, exhibit increasing efficiency of conversion of light into electrical energy with decreasing acceptor number of the solvent.

Photovoltaic performance of bipyridine and dipyridophenazine ligands anchored ruthenium complex sensitizers for efficient dye-sensitized solar cells

The performance of dye-sensitized solar cells (DSSCs) can be influenced by the sensitizer. Therefore, three heteroleptic ruthenium complexes, cis-[Ru(dcbpy)(bpy)(NCS)2] (Ru-bpy), cis-[Ru(dcbpy)(dppz)(NCS)2] (Ru-dppz) and cis-[Ru(dcbpy)(dppx)(NCS)2] (Ru-dppx) (dcbpy = 4,4′-dicarboxylic-2,2′-bipyridine, NCS = isothiocyanate) sensitizers, were synthesized using one pot synthesis. The structures and functionalization of the ligands in each complex sensitizer were confirmed using FT-IR and NMR analyses. They were then systematically studied to determine their light absorption spectrum, the metal-centered oxidation peak, and electron recombination properties using a UV–vis spectrophotometer and electroanalytical techniques (i.e., CV, EIS, and LSV). The criteria for an efficient DSSC ruthenium sensitizer were drawn based on the structure-property relationship. It was found that the power conversion efficiency (ɳ) of the sensitizers were in the sequence of Ru-dppz (ɳ = 0.40%) < Ru-bpy (ɳ = 0.58%) < Ru-dppx (ɳ = 0.61%) in comparison to a commercialized sensitizer N719 (ɳ = 0.93%), The introduction of the dimethyl group altered the LUMO to enhance the electron injection to the TiO2 conduction band and thus increased the power conversion efficiency of the DSSC.

Influence of the donor and conjugation at D–π–A organic sensitizers for dye-sensitized solar cells: a first principle study

In this study, we designed perylene-based organic dye for D–π–A architecture. First, screening the well electron-rich and electron-deficient donor and π-spacer group for efficient dye sensitizer for DSSCs have been simulated using DFT and TD-DFT methods. The theoretical results have shown that the LUMO and HOMO energy levels of the design dyes can ensure a positive effect on the process of electron injection and dye regeneration. The main factors of short-circuit current density influence the light harvesting efficiency and the electron injection rate. On the other hand, electron dipole moment is controlled by the open circuit photovoltage, which improves higher-efficiency photovoltaic devices. The calculated results of the design dye reveal that dye D3 can be used as a potential sensitizer for DSSCs.

Promising architectures modifying the D-π-A architecture of 2,3-dipentyldithieno[3,2-f:2′,3′-h]quinoxaline-based dye as efficient sensitizers in dye-sensitized solar cells: A DFT study

As reported, (E)-2-cyano-3-(2,3-dipentyl-9-(7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)benzo[c] (Cui and et al., 2019; He and et al., 2017; Feng and et al., 2013) [1,2,5]thiadiazol-4-yl)-5,6-dihydrodithieno[3,2-f:2′,3′-h]quinoxalin-6-yl)acrylic acid (DQ5) with D-A-π-A architecture was successfully synthesized, its electrochemical and photophysical properties were determined. It has a rigid dipentyldithieno[3,2-f:2′,3′-h]quinoxaline (DPQ) unit. DQ5, as a DPQ-based organic dye-sensitized solar cell, obtained an excellent power conversion efficiency of 7.12%. Based on this result, and in addition to DQ5, and to establish structure–property relationships, the electrochemical and photophysical properties, intramolecular charge transfer indices, reorganization energies, exciton binding energies and transition density matrix graphs in chloroform solvent of six new architectures derived from DQ5 were calculated using the DFT/and TDDFT/CPCM/BHandHLYP/6-31 + G(d,p). The new architectures included D-A-A-π-A (D1), D-A-D-π-A (D2), D-D-A-π-A (D3), D-D-D-π-A (D4), D-D-π-A (D5), and D-π-A (D6). The calculated results indicate that different architectures can modify the energy levels of HOMO and LUMO and ease intramolecular charge transfer and increase charge injection at the interface of dye/TiO2. The binding energies, electronic, and optical properties of the sensitizers@TiO2 cluster have also been explored. The light was shed on the electron/hole injection barrier and bandgap alignment as well. The sensitizers containing the D and/or A moiety, e.g., benzothiadiazole and/or benzo[c]thiophen showed larger binding energies than its absence in derivative, e.g., D6. Comprehensible intramolecular charge transfer was found in sensitizers before and after adsorption @TiO2 cluster in studied compounds. Different architectures derived from DQ5 can provide a new strategy to provide novel DPQ-based dyes and focus on the preparation of dyes with better performance.

A facile microwave synthesis of Cr-doped CdS QDs and investigation of their physical properties for optoelectronic applications

Herein, we present the facile synthesis of different content of chromium (Cr)-doped CdS quantum dots (Cr@CdS QDs) using microwave route within 15 min. The synthesized Cr@CdS QDs were investigated for structural, morphological, opto-dielectric, and electrical natures. X-ray diffraction confirms the monophasic hexagonal system of Cr@CdS and the sizes of crystallites are calculated to be 8.72, 7.04, 8.84, 6.56, 5.96, 6.52 and 6.99 nm for 0.0, 0.5, 1.0, 5.0, 10.0, 15.0, and 20.0 wt% Cr@CdS samples. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) studies reveal the quantum dots size spherical shape morphology of synthesized Cr@CdS samples and the size is noted in range of 8.5–8.1 nm. The lattice spacing and orientation of grown QDs was also evaluated by high-resolution TEM and Selected Area Electron Diffraction (SAED) pattern. Diffused reflectance spectra were recorded and Kubelka–Munk theory is employed to estimate the energy gap. The energy gap was estimated between 2.4 and 2.46 eV for Cr@CdS QDs. Photoluminescence (PL) emission spectra own an strong emission peak in both spectra recorded at two different excitation wavelengths and revealed that the PL emission intensity is quenched with Cr doping in CdS. Dielectric and ac electrical studies shows the dependence on frequency and Cr content doping, and constant values are enhanced from 14 to 17 at 4 MHz. The prepared Cr@CdS QDs will be highly useful as sensitizers in solar cell, spintronics, and optoelectronics.

Two similar near-infrared (IR) non-fullerene acceptors as near IR sensitizers for ternary solar cells

Abstract In this work we introduced and constructed two different ternary solar cells based on J101:MeIC host films separately blended with two distinct near-IR non-fullerene acceptors, F-IXIC and Cl-IXIC. The J101:MeIC host devices with a PCE of 11.83% were improved to 14.08% by loading 40 wt% F-IXIC, but reduced to 9.32% by loading Cl-IXIC with the same content. Notably, the J101:F-IXIC and J101:Cl-IXIC binary devices showed the comparable PCEs of 9.44% and 9.45%, respectively. Importantly, the large difference of fill factor values (70.19% for F-IXIC-based device and 50.24% for Cl-IXIC-based device) drives us to carefully analyze the working mechanisms and morphological characteristics of these two ternary systems via the physical and morphological measurements and the surface energy calculations. The investigated results suggest that the interfacial surface energy parameters of the third component and host materials should be rationally and comprehensively considered in the design of ternary systems. More importantly, combining with the investigations of the photo- and thermal-stability issues of the corresponding ternary systems, we further found that localization driving force of sensitizers partially explained in terms of surface energy can rationally control the efficiency-stability gap of ternary solar cells.

Effects of heterocyclic ring and amino‐ethyl‐amino group on the electronic and photophysical properties of a triphenylamine‐pyrimidine dye

AbstractIntroduction of a heterocyclic ring and an amino‐ethyl‐amino group to donor‐acceptor (D‐A) type photosensitive dyes can modulate the lifetime of the charge separation generated in the D‐A dyes as well as their electronic and UV‐vis absorption properties. Here we perform density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) calculations to study 11 derivatives of a triphenylamine‐pyrimidine, namely MTPA‐Pyc, in order to improve the performance of MTPA‐Pyc as solar cell sensitizers. Five heterocyclic rings and an amino‐ethyl‐amino group were introduced on the styryl moiety of MTPA‐Pyc. The results show that the introduction of heterocyclic rings generally causes an absorption red shift, but the absorption intensity reduces as a result of the increase in the dihedral angle between the donor and acceptor. Further, introduction of an amino‐ethyl‐amino group to these dyes with a heterocyclic ring modification disrupts the conjugation between the donor and acceptor, which does not benefit the absorption but may have the potential to increase the lifetime of charge separation of the dyes. We identify 2 out of 11 dyes that have the best potential for solar cell applications.

Novel Coordination Compounds Based on Copper Complexes with new Synthesized Schiff bases and Azo-dyes as Sensitizers for Dye-Sensitized Solar Cells: Spectral and Electrochemical Studies

Novel Coordination Compounds Based on Copper Complexes with new Synthesized Schiff bases and Azo-dyes as Sensitizers for Dye-Sensitized Solar Cells: Spectral and Electrochemical Studies

Investigating an alternative electricity supply system for preventing emergencies under conditions of limited capacity

Film solar cells have been investigated to meet the need for an alternative system of electricity supply during the elimination and prevention of an emergency when an electricity supply system is damaged. Given the high degradation resistance of cadmium telluride, the study has examined the two-way sensitive solar cells based on CdS/CdTe with a super-thin base layer suitable for forming tandem structures. Creating the tandem structures makes it possible to improve the efficiency by placing another photoconverter at the front surface. We have measured the light volt-ampere characteristics of ITO/CdS/CdTe/Cu/ITO solar cells with a base layer thickness of 1 µm when simultaneously lighting the rear and frontal sides. It has been experimentally shown that two-way lighting makes it possible to increase the electrical power generated by the device structure by 30 %. The study of the spectral dependences of transmittance has shown that the device structures ITO/CdS/CdTe/Cu/ITO with a thickness of the base layer of 1 µm demonstrate, in the spectral range (0.82‒1.10) µm, average transmittance of 0.58. Examining the light volt-ampere characteristics of the solar cells Mo/CuInSe 2 /CdS/ZnO/ZnO:Al/Ni: Al/Ni has shown that placing, at its frontal surface, the solar element ITO/CdS/CdTe/Cu/ITO leads to a decrease in efficiency from 11.2 % to 6.0 %. Such a decrease is primarily due to a decrease in the short-circuit current density from 25.9 mA/cm 2 to 13.8 mA/cm 2 . However, as the efficiency of the ITO/CdS/CdTe/Cu/ITO solar element is 7.8 %, the tested tandem photovoltaic converters ITO/CdS/CdTe/Cu/ITO – Mo/CuInSe 2 /CdS/ZnO/ZnO:Al/Ni demonstrated the efficiency 13.8 %

Some Problems in Designing a Luminescence Converter for Si Solar Cells

Aromatic polymer composites are characterized by the high absorption and luminescence excitation in the short-wave interval of the solar radiation spectrum from about 200 nm. Therefore, they can be used to enhance the spectral sensitivity of semiconductor solar cells, including silicon-based ones, at short waves. When such a composite absorbs light, there arise Frenkel excitons in it, which are responsible for the transfer of the excitation energy to molecular traps. The latter emit light in the spectral region of maximum solar cell sensitivity. The results obtained demonstrate a possibility to develop a luminescence converter on the basis of a polymeric composite, thus increasing the photocurrent generated by Si-based solar cells.

Synthesis and Photovoltaic Properties of Boron β-Ketoiminate Dyes Forming a Linear Donor-π-Acceptor Structure.

Organoboron complexes are of interest as chromophores for dye sensitizers owing to their light-harvesting and carrier-transporting properties. In this study, compounds containing boron β-ketoiminate (BKI) as a chromophore were synthesized and used as dye sensitizers in dye-sensitized solar cells. The new dyes were orange or red crystals and showed maximum absorptions in the 410-450 nm wavelength region on titanium dioxide substrates. These electrodes exhibited maximum efficiencies of over 80% in incident photon-to-current conversion efficiency spectra, suggesting that the continuous process of light absorption-excitation-electron injection was effectively performed. Open-circuit photovoltages were relatively high owing to the large dipole moments of the BKI dyes with a linear molecular structure. Thus, a maximum power conversion efficiency of 5.3% was successfully observed. Comparison of BKI dyes with boron β-diketonate dyes revealed certain differences in solution stability, spectral properties, and photovoltaic characteristics.

N-methylferrocenyl-N-ethylhydroxy ammonium nitrate: synthesis, characterization, and sensitizer in dye-sensitized solar cells

A new ferrocene-containing hydronitrate salt with formula N-methylferrocenyl-N-ethylhydroxy ammonium nitrate has been synthesized and characterized using microanalyses, UV–Vis, fluorescence, cyclic voltammetry as well 1H and 13C NMR spectroscopy and finally by single-crystal X-ray diffraction technique. The solid-state structure of the compound is stabilized by several O–H···ONO2 and N–H···ONO2 hydrogen bonding interactions and which lead to the formation of 2D sheet. Also, C–H···π interaction is also evinced in the solid state which further stabilizes the cation. These interactions have been addressed with the aid of Hirshfeld surface analyses and fingerprint plots. The cation has been used as sensitizer in dye-sensitized solar cell and displayed short-circuit current (Jsc) and open-circuit potential (Voc) parameters of 6.80 mA cm−2 and 0.63 V, respectively, while the efficiency (η) of the cell setup is 3.1%.

The Carbazole Compounds Endowed with Phosphonic Anchoring Group for Sensitizer in Dye-Sensitized Solar Cells

The sensitizer dye contacts onto the TiO2 surface through an anchoring group in a Dye-Sensitized Solar Cells (DSSC). The thermal stability of the anchoring group and TiO2 binding contact is important to be considered in order to obtain the cell stability. Phosphonic acid is an anchoring group that has a good binding-contact thermal stability with TiO2 surface. In this research we investigated through the computational study the electronic properties of carbazole derivative compounds endowed with the phosphonic anchoring-groups (CP). A series of 10 CP derivatives was studied which has a different functional donor group. The electronic properties were investigated using the TD-DFT method with the CAM-B3LYP basis set. The substitution of carboxyl group with the phosphonic one showed the absorption spectrum to the blue shift (5-70 nm) which gave a less beneficial effect to the DSSC performance. The addition of donor functional group aniline into the CP (aniline-CP) could shift back the absorption spectrum to the red-shift. The DSSC parameter also has been calculated including the electron injection driving force ΔGinject and the open circuit votage (eVOC). Overall the aniline-CP has the best performance among the observed compounds which showed the highest ΔGinject (-0.84872 eV) and eVOC (2.763 V).

(Invited) Beta, Beta-Functionalized Push-Pull Opp-Dibenzoporphyrins As Sensitizers for Dye-Sensitized Solar Cells: The Role of the Phenylethynyl Bridge and the Tertiary Amine Push Group

Significant progress has been made on dye-sensitized solar cells sensitized by push-pull porphyrins in recent years.1-3 An effective way to significantly enhance power conversion efficiencies of porphyrin dyes is through installation of push (electron-donating) and pull (electron-withdrawing) groups at porphyrin meso-positions.4-6 In this presentation, we present a different strategy to install push and pull groups at porphyrin b-positions. Three series of novel opp-dibenzoporphyrins were prepared using this strategy. Our studies show significant push-pull effects for these porphyrins.7 DFT calculations suggest that the inclusion of ethynylphenyl bridge between the donating group and the porphyrin core significantly segregate the frontier orbitals, which is a much-favored feature for sensitizers in DSSC. It has also been found that dimethylaminophenyl group cause dye decomposition on solar cells. To solve the dye degradation problem, porphyrin dyes with tertiary arylamine groups serving as the donor groups were prepared. Our studies show that tertiary arylamine groups are able to stabilize the dyes adsorbed on the solar cells. The electronic and optical properties of these p-extended porphyrins were measured using UV-Vis spectroscopy, life-time and steady state fluorescence spectroscopy, cyclic voltammetry and transient spectroscopy. Their photovoltaic performances were tested in dye-sensitized solar cells. Reference 1. T. Higashino and H. Imahori, Dalton Trans., 2015, 44, 448-463.2. M. Urbani, M. Gratzel, M. K. Nazeeruddin and T. Torres, Chem. Rev., 2014, 114, 12330-12396.3. L. L. Li and E. W. Diau, Chem. Soc. Rev., 2013, 42, 291-304.4. A. Yella, H.-W. Lee, H. N. Tsao, C. Yi, A. K. Chandiran, M. K. Nazeeruddin, E. W.-G. Diau, C.-Y. Yeh, S. M. Zakeeruddin and M. Grätzel, Science, 2011, 334, 629-634.5. S. Mathew, A. Yella, P. Gao, R. Humphry-Baker, B. F. Curchod, N. Ashari-Astani, I. Tavernelli, U. Rothlisberger, M. K. Nazeeruddin and M. Gratzel, Nat. Chem., 2014, 6, 242-247.6. G. Di Carlo, A. O. Biroli, F. Tessore, S. Caramori and M. Pizzotti, Coord. Chem. Rev., 2018, 358, 153-177.7. Y. Hu, S. Yellappa, M. B. Thomas, R. G. W. Jinadasa, A. Matus, M. Shulman, F. D'Souza and H. Wang, Chem Asian J, 2017, 12,

The Structural and Optical Band Gap Energy Evaluation of TiO2-Fe2O3 Composite

Solar cells, one of which is Dye Sensitizer Solar Cell (DSSC), are promising alternative energy in the 2000s. Compared to many other energy sources, solar cell does not emit waste (clean energy). An important component that generates electricity in DSSC is photoanode. TiO2, the most widely used materials as photoanodes in the current era, is widely used photoanode although the energy gap of the TiO2 band is quite large (3.43 eV). This study aims to reduce the energy gap of TiO2 band by forming composites with Fe2O3. Various compositions of TiO2 and Fe2O3 fine powders mixtures were dispersed in methanol and stirred until homogeneous in order to synthesize the photoanode. The methanol was then evaporated to obtain a dried mixture of solids, followed by calcination to form composites. The resulted composites were characterized by XRD and Diffuse Reflectance UV-Vis Spectrophotometer. XRD analysis results showed that the composites are composed of TiO2 and Fe2O3 mixtures. Diffuse Reflectance UV-Vis analysis results showed that there was a change in bandgap energy due to the mixing of TiO2 with Fe2O3. The lowest band gap energy is 2.67 eV at 1: 4 ratios. The smallest and largest refractive index values calculated by the Ravindra relation are 2.0725 and 2.4286, respectively. The refractive index value is the reversely proportional of the band gap energy value, the greater the band gap energy, the smaller the refractive index value.

A simple D-A-π-A configured carbazole based dye as an active photo-sensitizer: A comparative investigation on different parameters of cell

An organic photosensitizer (DP-1) with D-A-π-A architecture was systematically analyzed along with our previously reported dye N1. In the design, the dyes carry carbazole as donor, thiophene acetonitrile as π-spacer connected to varied acceptor/anchoring unit i.e., cyanoacrylic acid (N1) and 4-aminobenzoic acid (DP-1). Generally, cyanoacrylic acid and carboxyl groups have been investigated extensively as effective electron acceptor/anchoring unit for the design of the sensitizer for dye-sensitized solar cells (DSSC) application and displayed superior photon conversion efficiency. In the present work, both the dyes were taken up for various studies focusing on photophysical, electrochemical, theoretical and photovoltaic investigation in the corresponding solar cells. From the photophysical and electrochemical studies it was established that, the both dyes show upright thermodynamic feasibility for electrochemical processes in the cell i.e., both electron and dye regeneration. Also, the DFT studies appends the existence of feasible HOMO-LUMO charge distribution. Finally, the devices fabricated by employing these dyes as sensitizer with 10 mM DCA as co-adsorbent. The device based on N1 displayed improved photon conversion efficiency compared to the cell sensitized using DP-1. This work may provide a new strategy for designing efficient photosensitizers to further ameliorate the DSSCs performance.