Zahlou, A. and Sadiki, Y. and Bejjit, L. and Haddad, M. and Hamidi, M. and Bouachrine, M. (2014) Electronic and photovoltaic properties of conjugated compounds based on carbazole and phenothiazine candidates for organic solar cell applications. Journal of Materials and Environmental Science, 5 (2). pp. 432-439.

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In this work, we presented a theoretical study by using DFT method on three conjugated compound based on carbazole and phenothiazine prepared by Y. Zhou et al 10 and shown in Figure 1. The HOMO, LUMO, Gap energy, λmax, λemi, Voc of these compounds have been calculated and reported in this paper. A systematic theoretical study of such compound has not been reported as we know. Thus, our aim is first, to explore their electronic and absorption properties on the basis of the DFT quantum chemical calculations. Second, we are interested to elucidate the parameters that influence the photovoltaic efficiency toward better understanding of the structure-property relationships. We think that the presented study of structural, electronic and optical properties for these compounds could help to design more efficient functional photovoltaic organic materials.

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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