Bouachrine, M. and Echchary, A. and Bouzzine, S.M. and Amine, M. and Hamidi, M. and Amine, A. and Zair, T. (2011) Oligothiophenes bridged by silicon groups, DFT study of structural and electronic properties. Physical and Chemical News, 58. pp. 61-66.

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Abstract

A DFT theoretical investigation on the structural and opto-electronic properties of new materials based on oligothiophene is carried out. The purpose is to display the effect of grafting Silicon groups on their opto-electronic and physico-chemical properties. In addition to the promotion of electron-transporting and the modification in geometric parameters, the substitution of bridging silicon groups destabilizes the HOMO and LUMO levels, decreases the bang gap energy and raises conjugation length. These properties suggest these substituted silicon compound as a good candidate for opto-electronic applications.

Item Type: Article
Subjects: Chemistry
Divisions: SCIENTIFIC PRODUCTION > Chemistry
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:45
URI: http://eprints.umi.ac.ma/id/eprint/1992

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