Experimental and computational study on electronic and photovoltaic properties of chromen-2-one-based organic dyes used for dye-sensitized solar cells

Sharma, 2018, Dye-sensitized solar cells: fundamentals and current status, Nanoscale Res. Lett., 13, 1, 10.1186/s11671-018-2760-6 Pastore, 2010, A computational investigation of organic dyes for dye-sensitized solar cells: Benchmark, strategies, and open issues, J. Phys. Chem. C, 114, 7205, 10.1021/jp100713r Wang, 2018, Computational prediction of electronic and photovoltaic properties of anthracene-based organic dyes for dye-sensitized solar cells, Int. J. Photoenergy, 2018, 1, 10.1155/2018/6973297 Rashid, 2019, Computational investigation of tuning the electron-donating ability in metal-free organic dyes featuring an azobenzene spacer for dye-sensitized solar cells, Nanomaterials, 9, 1, 10.3390/nano9010119 T. Delgado-Montiel, R. Soto-Rojo, J. Baldenebro-López*, D.l. Glossman-Mitnik, Theoretical study of the effect of different π bridges including an azomethine group in triphenylamine-based dye for dye-sensitized solar cells, Molecules. 24(21) 3897, 1–16, 2019. Zulkifili, 2015, The basic research on the dye-sensitized solar cells (DSSC), J. Clean Energy Technol., 3, 382, 10.7763/JOCET.2015.V3.228 Pastore, 2017, First principle modelling of materials and processes in dye-sensitized photoanodes for solar energy and solar fuels, Computation, 5, 1 Mehmood, 2014, Recent advances in dye sensitized solar cells, Adv. Mater. Sci. Eng., 2014, 1, 10.1155/2014/974782 Bourass, 2015, Theoretical studies by using the DFT and TD-DFT of the effect of the bridge formed of thienopyrazine in solar cells, J. Mater. Environ. Sci., 6, 1542 Ren, 2016, Photoelectric properties of DSSCs sensitized by phloxine B and bromophenol blue, Int. J. Photoenergy, 2016, 1, 10.1155/2016/2135847 Toor, 2018, Synthesis, computational study and characterization of a 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2- one azo dye for dye-sensitized solar cell applications, J. Comput. Electron., 17, 821, 10.1007/s10825-018-1140-x R. Ali, N. Nayan, Fabrication and analysis of dye-sensitized solar cell using natural dye extracted from dragon fruit, Cell, pp. 55–62, 2010. Sinha, 2018, Fabrication of DSSC with nanostructured ZnO photo anode and natural dye sensitizer, Mater. Today Proc., 5, 2056, 10.1016/j.matpr.2017.09.201 Wang, 2010, Fabrication of dye-sensitized solar cells with a 3D nanostructured electrode, Int. J. Photoenergy, 2010, 1, 10.1155/2010/389182 Abdallah, 2018, Experimental and theoretical investigation by DFT on the some azole antifungal drugs as green corrosion inhibitors for aluminum in 1.0M HCl, Prot. Met. Phys. Chem. Surfaces, 54, 503, 10.1134/S207020511803022X Eşme, 2014, The linear, nonlinear optical properties and quantum chemical parameters of some sudan dyes, BAÜ Fen Bil. Enst. Derg. Cilt, 16, 47 R. Li, X. Lv, D. Shi, D. Zhou, Y. Cheng, G. Zhang, P. Wang, Dye-sensitized solar cells based on organic sensitizers with different conjugated linkers: furan, bifuran, thiophene, bithiophene, selenophene, and biselenophene, J. Phys. Chem. C, vol. 113, no. 17, pp. 7469–7479, 2009. Meng, 2010, Electron and hole dynamics in dye-sensitized solar cells: influencing factors and systematic trends, Nano Lett., 10, 1238, 10.1021/nl100442e Oláh, 2002, Condensed Fukui functions derived from stockholder charges: assessment of their performance as local reactivity descriptors, J. Phys. Chem. A, 106, 3885, 10.1021/jp014039h Patil, 2018, Linear correlation between DSSC efficiency, intramolecular charge transfer characteristics, and NLO properties – DFT approach, Comput. Theor. Chem., 1138, 75, 10.1016/j.comptc.2018.06.006 Sun, 2009, Experimental and density functional studies on 4-(3,4-dihydroxybenzylideneamino)antipyrine, and 4-(2,3,4-trihydroxybenzylideneamino) antipyrine, J. Mol. Struct. Theochem., 904, 74, 10.1016/j.theochem.2009.02.036 Li, 2014, Computational study of the vibrational spectroscopic studies, natural bond orbital, frontier molecular orbital and second-order non-linear optical properties of acetophenone thiosemicarbazone molecule, Spectrochim. Acta – Part A Mol. Biomol. Spectrosc., 118, 543, 10.1016/j.saa.2013.09.026 Hossain, 2018, Influence of natural dye adsorption on the structural, morphological and optical properties of TiO2 based photoanode of dye-sensitized solar cell, Mater. Sci. Pol., 36, 93, 10.1515/msp-2017-0090