SATHYANARAYANA MOORTH, V and PRAKASH MANUEL JOE, J and MOHAN KUMAR, S (2015) Density Functional Theory Study of 2,1,3-Benzoxadiazole-5- Carboxylic Acid as Photosensitizers for Dye-sensitized Solar Cells. An International Open Free Access, Peer Reviewed Research Journal, 31 (1). pp. 149-157. ISSN 0970-020 X

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Abstract

Theoretical analysis of the 2,1,3-Benzoxadiazole-5-carboxylic acid dye molecule and new designed dyes were performed using Density Functional Theory. The ground state and excited state oxidation potential as well as electron injection from dyes to TiO2 are reported. Improved light harvesting efficiency and free energy change of electron injection of new designed sensitizers reveal that these materials would be excellent sensitizers. This theoretical designing will pave way for the experimental list to synthesis the efficient sensitizers for solar cells.

Item Type: Article
Uncontrolled Keywords: DSSC, LHE, DFT, 2,1,3-Benzoxadiazole-5-carboxylic acid
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Users 1 not found.
Date Deposited: 29 Dec 2021 08:40
Last Modified: 29 Dec 2021 08:40
URI: http://ir.psgcas.ac.in/id/eprint/266

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