Abstract
Density Functional theory Study of 2,1,3-Benzoxadiazole-5-carboxylic acid as photosensitizers for dye-sensitized solar cells
V. Sathyanarayanamoorthi*1, J. Prakash Manuel Joe2 and S. Mohan Kumar2
DOI : http://dx.doi.org/10.13005/ojc/310116
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.
Keywords:DSSC; LHE; DFT; 2; 1; 3-Benzoxadiazole-5-carboxylic acid
Back to TOC
A New Edition of Web of Science
Journal Impact Factor
2022: 0.5
Five Year: 0.8
Journal is Indexed in
Cabells Whitelist
