Agda, F. and Abram, T. and Taleb, M. and Taoufik, H. and Bejjit, L. and Bouachrine, M. (2015) Organic materials based on oxathiazole and thiophene for photovoltaic devices. Correlation structure/electronic properties. Journal of Materials and Environmental Science, 6 (6). pp. 1733-1739.

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In this work, the theoretical analysis on the geometries and electronic properties of conjugated compound based on thiophene and oxadiazole TTTTT; TTTTT(CH3); OxTOxTOx(CH3) ;TTOxTT; TTOxTT(OMe); TTOxTT(CN) ;TTOxTT(F); TTOxTT(CH3) .We presented a theoretical study by using DFT method at B3LYP level with 6-31G (d) basis set. The theoretical knowledge of the HOMO and LUMO energy levels of the components is basic in studying organic solar cells. So, the HOMO, LUMO, Gap energy and the photovoltaic properties of the studied compounds have been calculated. These properties suggest that these materials are a good candidate for organic solar cells.

Item Type: Article
Subjects: Environmental Science
Divisions: SCIENTIFIC PRODUCTION > Environmental Science
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:47

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