RAJMUHAMED, R (2023) Theoretical Study of D-πππππ-A Structured Malvidin for DSSC Application. AJC Asian Journal of Chemistry Asian Journal of Chemistry, an International Peer Reviewed Research Journal of Chemistry, 35 (2). pp. 522-528. ISSN 0970-7077

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Abstract

Six novel dye molecules were developed from D-π-A system and their suitability for dye sensitized solar cells (DSSCs) was evaluated
using density functional theory (DFT). All the calculation were performed using B3LYP/6-311++ G (d,p) level basis set. The intermolecular
charge transfer was examined using Frontier molecular orbitals. The absorption spectra, light harvesting efficiency (LHE) and the electron
injection energy (∆Ginject) for all the designed dyes were calculated to compare their photovoltaic performance. All of these dyes developed
in this study show great potential as a DSSC sensitizer

Item Type: Article
Uncontrolled Keywords: Dye sensitized solar cells, Malvidin, Light harvesting efficiency, Natural dyes
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Dr. B Sivakumar
Date Deposited: 01 Nov 2025 06:49
Last Modified: 01 Nov 2025 06:49
URI: https://ir.psgcas.ac.in/id/eprint/2498

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