Faculty Publications
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Item Highly efficient carbazole based co-sensitizers carrying electron deficient barbituric acid for NCSU-10 sensitized DSSCs(Elsevier Ltd, 2018) Naik, P.; Keremane, K.S.; Elmorsy, M.R.; Su, R.; El-Shafei, A.; Vasudeva Adhikari, A.V.Herein, we report a comparative study of four interesting metal-free carbazole based organic dyes with different structural configurations, carrying electron deficient barbituric acid (C1-4), as effective co-sensitizers in DSSCs sensitized with NCSU-10 dye. The new entities comprise different structural architectures, viz. D-A (C1), D-?-A (C2), D-D-?-A (C3) and D-A-?-A (C4) configurations with same accepting/anchoring moiety. They consist of carbazole as donor scaffold linked to barbituric acid as an acceptor/anchoring unit via different ?-spacers. This paper describes the study of all the four co-sensitizers with regard to their structural, photophysical, electrochemical, theoretical and photovoltaic investigations. Also, it includes their structure-performance correlation study in detail. The devices co-sensitized with C1-4 displayed the superior photovoltaic performance when compared to NCSU-10 alone. The results ameliorate the role of efficient co-sensitizers to yield DSSC with improved performance. © 2018 Elsevier LtdItem Improvement in performance of N3 sensitized DSSCs with structurally simple aniline based organic co-sensitizers(Elsevier Ltd, 2018) Naik, P.; Abdellah, I.M.; Abdel-Shakour, M.; Su, R.; Keremane, K.S.; El-Shafei, A.; Vasudeva Adhikari, A.V.In this work, we report comprehensive photovoltaic investigation of four structurally simple D-A configured organic dyes, A1-4 as active co-sensitizers in DSSCs sensitized with well-known Ru (II) based N3 dye. These effective co-sensitizers (A1-4) comprise N,N-dimethylaniline ring as donor scaffold linked with electron withdrawing functionalities, viz. barbituric acid (A1), N,N-dimethyl barbituric acid (A2), thiobarbituric acid (A3), and N,N-diethyl thiobarbituric acid (A4) as acceptor/anchoring units. In the present study, for the first time we have demonstrated the profound role of various simple organic molecules carrying different heterocyclic anchoring units on the photovoltaic parameters of the N3 sensitized devices. Also, the effect of concentration of sensitizer/co-sensitizers on the device performance characteristics has been investigated in depth. From the results, it is evident that, the device fabricated using co-sensitizer A2 carrying N,N-dimethyl barbituric acid along with sensitizer N3 in all concentrations outperformed when compared to N3 alone or other co-sensitizers. Interestingly, the best photovoltaic performance was obtained for the co-sensitized device fabricated using 0.3 mM co-sensitizer A2 along with 0.2 mM of N3 sensitizer. It displayed PCE of 7.02% with JSC of 15.27 mA·cm?2, VOC of 0.671 V and FF of 68.47%. Thus, the observed results have thrown new light upon the device optimization to yield DSSCs with improved performance by the selection of matchable co-sensitizers at appropriate concentrations. © 2018 Elsevier LtdItem Simple thiophene based organic dyes as active photosensitizers for dssc application: From molecular design to structure property relationship(Sumy State University larysa.odnodvorets@gmail.com, 2020) Keremane, K.S.; Naik, P.; Vasudeva Adhikari, A.V.The main objective of our present investigation includes the design synthesis and characterization of two novel D--A configured thiophene based dyes C1-2, carrying two different anchors and the same donor system. In the new design, a simple O-alkylated phenyl group as a donor scaffold, cyanovinylene and thiophene group serve as a-spacer, while cyanoacetic acid, barbituric acid units function as electron acceptor/ anchoring units. The newly synthesized compounds were characterized by FTIR, NMR spectroscopic techniques including the elemental analysis. Further, their optical properties were investigated by using UV-visible, fluorescence spectrophotometer. In addition, the Density functional theory (DFT) calculations were performed to get their electron distribution in FMO levels. In order to investigate their photovoltaic characteristics, the synthesized dyes were employed as sensitizers towards the fabrication of DSSC's. The device fabricated with dye C1 displayed better PCE of 1.2 % with JSC of 3.64 mA·cm-2, VOC of 0.50 V and FF of 65 % than other dye C2. These experimental results provide a better understanding and deeper insight into the intricacies involved in the design of superior sensitizers to further improve the performance of DSSCs. © 2020 Sumy State University.Item Solvent selection for highly reproducible carbon-based mixed-cation hybrid lead halide perovskite solar cells via adduct approach(Elsevier Ltd, 2020) Keremane, K.S.; Prathapani, S.; Haur, L.J.; Damodaran, D.; Vasudeva Adhikari, A.V.; Priyadarshi, A.; Mhaisalkar, S.G.The major problem identified in carbon-based mixed cation perovskite solar cells (PSCs) is the selection of a suitable solvent for single-step solution-processed perovskite deposition in order to promote their scalable production. Herein we report a detailed study on the selection of appropriate solvent for the one-step deposition of cesium-formamidinium lead iodide (Cs0.1FA0.9PbI3) perovskite via Lewis acid-base adduct approach for fully printable mesoporous PSCs with mesoporous TiO2/ZrO2/C architecture. Highly reproducible Cs0.1FA0.9PbI3 solar cells were fabricated via adducts of PbI2 with eco-friendly dimethyl sulfoxide (DMSO). The best cells fabricated with the above approach yielded a photoconversion efficiency (PCE) of 12.33% for a small area device (active area: 0.09 cm2) and 10.1% for a large area device (active area 0.7cm2). The average power conversion efficiency for 62 PSCs was found to be 10.5% under an AM 1.5G illumination. Finally, the mixed cation perovskite in carbon architecture using the Lewis acid-base adduct approach is remarkably stable, with less than 1% change from the initial PCE after 1800h of storage under dark ambient conditions (25 °C, 60–70% RH). © 2020 International Solar Energy SocietyItem A simple D-A-?-A configured carbazole based dye as an active photo-sensitizer: A comparative investigation on different parameters of cell(Elsevier B.V., 2020) Babu, D.D.; Naik, P.; Keremane, K.S.An organic photosensitizer (DP-1) with D-A-?-A architecture was systematically analyzed along with our previously reported dye N1. In the design, the dyes carry carbazole as donor, thiophene acetonitrile as ?-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. © 2020 Elsevier B.V.Item Simple thiophene-bridged D-?-A type chromophores for DSSCs: a comprehensive study of their sensitization and co-sensitization properties(Royal Society of Chemistry, 2020) Keremane, K.S.; Abdellah, I.M.; Naik, P.; El-Shafei, A.; Vasudeva Adhikari, A.V.Herein, we report the design and synthesis of four new thiophene-bridged D-?-A configured organic dyes T1-4 comprising different donors, ?-spacers and anchoring units, as potential sensitizers and co-sensitizers for DSSCs. The current work also highlights their structural, photophysical, thermal, electrochemical, theoretical, and photoelectrochemical studies, including evaluation of their structure-property relationships. The optical results revealed that the dyes T1-4 display ?abs and ?emi in the range of 402-461 nm and 556-575 nm, respectively, with a bandgap in the order of 2.31-2.58 eV. Furthermore, the results showed that the dyes possess all the pre-requisites to act as sensitizers/co-sensitizers. Among the tested dyes, the device based on sensitizer T2 achieved the highest PCE compared to the other three dyes, under the standard conditions. Furthermore, their co-sensitized devices were fabricated by co-adsorbing them with the well-known Ru-based MH-12 sensitizer and interestingly the co-sensitizer T3 carrying an alkoxy group and a barbituric acid anchor displayed the highest PCE of 8.79%, which is much higher than that of MH-12 alone (8.18%). Conclusively, the study furnishes a deeper understanding of the intricacies involved in the structural modification of sensitizers/co-sensitizers in achieving an enhanced performance of the devices. This journal is © 2020 the Owner Societies.Item Improving the Performance of Carbon-Based Perovskite Solar Modules (70 cm2) by Incorporating Cesium Halide in Mesoporous TiO2(American Chemical Society, 2021) Keremane, K.S.; Prathapani, S.; Haur, L.J.; Bruno, A.; Priyadarshi, A.; Vasudeva Adhikari, A.V.; Mhaisalkar, S.G.We present the fabrication of highly efficient large-area carbon-based perovskite solar cells (C-PSCs) using CsX (X = Cl, Br, and I)-modified mesoporous (mp) TiO2 beads of 40 nm size as an electron transport material. Here, triple-layered scaffolds made of cesium halide-modified TiO2 exhibit efficient charge extraction as confirmed by enhanced photoluminescence quenching and inhibit the UV-activated degradation processes of perovskite, leading to an enhanced operational stability. Among the three cesium halide modifications, devices containing CsBr-modified TiO2 showed the highest short-circuit current density, yielding a photoconversion efficiency (PCE) of 12.59% of the device, with 0.7 cm2 active area and 11.55% for a large-area module (70 cm2). These devices are stable in an ambient atmosphere (25 °C, 65-70% RH) over 2700 h as well as at a high temperature (85 °C) over 750 h with virtually no hysteresis. © 2021 American Chemical Society. All rights reserved.Item Simple 3,6-disubstituted Carbazoles as Potential Hole Transport Materials: Photophysical, Electrochemical and Theoretical Studies(Blackwell Publishing Inc., 2021) Keremane, K.S.; Rao, R.; Vasudeva Adhikari, A.V.Developing effective and low-cost organic hole-transporting materials (HTMs) is crucial for the construction of high-performance perovskite solar cells (PSCs) and to promote their production in commercial ventures. In this context, we herein report the molecular design, synthesis and characterization of two novel D-A-D-A-D architectured 9-(2-ethylhexyl)-9H-carbazoles, connecting the mono/dimethoxyphenyl substituted cyanovinylene sidearms symmetrically at 3rd and 6th positions of the carbazole heterocycle (CZ1-2), as potential hole-transporting materials (HTMs). The current work highlights their structural, photophysical, thermal, electrochemical and theoretical investigations, including their structure-property correlation studies. Evidently, the optical studies showcased their excellent fluorescence ability due to their push–pull natured structure with extended ?-conjugation. Further, in-depth solvatochromic studies demonstrated their intramolecular charge-transfer (ICT)-dominated optoelectronic behavior, supported by various correlation studies. Also, the optical results revealed that CZ1 and CZ2 display ?absand ?emi in the order of 410–430 nm and 530–560 nm, respectively, with a bandgap in the range of 2.5–2.6 eV. Finally, their quantum chemical simulations have provided an insight into the predictions of their structural, molecular, electronic and optical parameters. Conclusively, the study furnishes a deeper understanding of the intricacies involved in the structural modification of carbazole-based HTMs for achieving better performance. © 2020 American Society for PhotobiologyItem Simple carbazole derivatives with mono/dimethoxyphenylacrylonitrile substituents as hole-transporting materials: Performance studies in hybrid perovskite solar cells(John Wiley and Sons Inc, 2021) Keremane, K.S.; Vasudeva Adhikari, A.V.Herein, we report the development of two new low-cost 9-(2-ethylhexyl)-9H-carbazoles carrying the mono/dimethoxyphenyl substituted cyanovinylene units symmetrically at 3- and 6-positions of the carbazole core (CZ1-2), as potential hole-transporting materials (HTMs) for perovskite solar cell (PSC) application. The current work highlights their structural, photophysical, electrochemical, theoretical, and photoelectrochemical studies, including evaluation of their structure-property relationships. Evidently, the optical studies showcased their excellent fluorescence ability due to their push-pull natured structure; their ?abs and ?emi values were found to be in the order of 410–430 nm and 530–560 nm, respectively, with a bandgap in the range of 2.5–2.6 eV. Further, their theoretical studies, performed by using the DFT simulations clearly revealed in-depth information on their molecular geometries, FMO, and electronic properties. Finally, new PSCs were fabricated successfully by employing CZ1-2 as HTMs to evaluate their photovoltaic performances. Their results indicated that the device with CZ1 displayed enhanced PCE of 2.55% (JSC= 7.85 mA/cm2, VOC= 0.79 V and FF = 40%) than the cell with CZ2 (PCE = 1.71%, JSC= 8.15 mA/cm2, VOC = 0.4 V, FF = 49%) and the obtained data are well comparable with reference, Sipro-OMeTAD (PCE = 4.76%, JSC= 12.27 mA/cm2, VOC = 0.84 V, FF = 45%). Conclusively, the study furnishes a deeper understanding of the intricacies involved in the structural modification of in low-cost HTM in achieving an enhanced performance of the devices. © 2021 The Authors. Electrochemical Science Advances published by Wiley-VCH GmbH.Item Carbazole based organic dyes as effective photosensitizers: A comprehensive analysis of their structure-property relationships(John Wiley and Sons Inc, 2022) Naik, P.; Keremane, K.S.; Elmorsy, M.R.; El-Shafei, A.; Vasudeva Adhikari, A.V.The present work describes the effect of structural modification of carbazole-based photosensitizers carrying carboxylic acid as a common anchoring functionality, on the photovoltaic parameters of newly fabricated DSSCs. In this study, we have selected our previously reported three carbazole-based derivatives, viz. S1-3 having different structural designs, that is, D-π-A (S1), D-D-π-A (S2), and A-π-D-π-A (S3) with different donor units and π-spacers, but an identical cyanoacetic acid anchoring unit. We have evaluated their optical, electrochemical, and photovoltaic behaviors in order to explore their structure-property relationships. Also, the theoretical investigations were performed to obtain a deeper understanding of their HOMO-LUMO levels, charge distribution in FMOs, directional flow of electrons within the push-pull type sensitizers, and optical behavior. Finally, the DSSCs were constructed by employing these dyes as sensitizers without any co-absorbents and the performance of the devices was evaluated by using illuminated current-voltage characteristics. Among the tested dyes, di-anchoring S3 exhibited improved PCE of 3.77 % due to its strong adsorption on the TiO2 surface that resulted in superior VOC of the cell. While the S2 containing electron-releasing anisole as an auxiliary donor exhibited better JSC value leading to the optimum PCE of 3.73 % which is comparable to that of S3. Obviously, these results validate the role of the π-spacer and additional donor of the sensitizers on the overall performance of the DSSCs. © 2021 The Authors. Electrochemical Science Advances published by Wiley-VCH GmbH.