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A Combined Experimental and Theoretical Investigation of Perylene Based Dyes as Sensitizer for Dye-Sensitized Solar Cell

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Abstract

Two perylene monoanhydride (PMA) based dyes (P1 and P2) were designed, synthesized and used as sensitizers for dye-sensitized solar cells (DSSCs) for the first time. The sensitizers were characterized well using 1H NMR, High Resolution Mass Spectrometry (HRMS) and FTIR techniques. The solvatochromic effect and the interaction of dye molecules with solvents were studied using absorption and emission spectra in different solvents. The highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and absorption maxima (λmax) values calculated by density functional theory were consistent with the corresponding experimental values. The HOMO and LUMO levels of the sensitizers suppose the efficient and thermodynamically favorable electron injection and dye regeneration process of DSSCs. The higher binding ability of P1 with TiO2 in the ground state and excited state was demonstrated using absorption and emission spectra respectively. The fabricated DSSC using P1 showed higher power conversion efficiency of 0.22% than the DSSC fabricated using P2 of 0.19%. The higher efficiency of P1 was verified with the higher value of electron recombination (∆Grec) than that of P2. The energy level diagram and electron transfer process of DSSCs were also illustrated schematically.

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ACKNOWLEDGMENTS

The authors thank DST NM (Ref. no. SR/NM/NS-26/2013/19.02.2014), DST (Ref. no. SR/S1/PC-12/ 2011/20.09.2011) and UGC (Ref. no. MRP-MAJOR-CHEM-2013-35169 Dt: 1/7/2015) for the Projects and fellowship respectively. The authors also thank UGC for Emeritus fellowship (Ref no.UGC-EF-7855, 2016-2017). The authors also acknowledge UGC- FIST and DST for instrument facilities in our department.

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Authors and Affiliations

  1. School of Chemistry, Bharathidasan University, 620 024, Tiruchirappalli, Tamil Nadu, India

    E. Kavery, G. Vinodha & R. Renganathan

  2. Faculty of Chemical and Process Engineering Technology, University Malaysia Pahang, Lebuhraya Tun Razak, 26300, Kuantan, Pahang, Malaysia

    S. Prabhu, Chin Sim Yee & Md. Maksudur Rahman Khan

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  1. E. Kavery
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  2. G. Vinodha
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  4. R. Renganathan
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  6. Md. Maksudur Rahman Khan
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Correspondence to R. Renganathan.

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Kavery, E., Vinodha, G., Prabhu, S. et al. A Combined Experimental and Theoretical Investigation of Perylene Based Dyes as Sensitizer for Dye-Sensitized Solar Cell. Russ. J. Phys. Chem. B 15 (Suppl 1), S92–S101 (2021). https://doi.org/10.1134/S1990793121090098

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