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• W2182692187 abstract "The research in solar cells has developed especially in the last decade it has attracted scientific and economic interest triggered by a rapid increase in power conversion efficiencies. In this work, computational study on the geometries and electronic properties of structures composed of a thiophene unit, an 1,3,4-oxadiazole unit and four different arylamine ( triphenylamine, N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine, diphenyl(1-naphthyl)amine and 9- phenylcarbazole). 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 these materials as a good candidate for organic solar cells. In general, the thiophene unit enhanced the overall thermal stability of the compounds." @default.
• W2182692187 created "2016-06-24" @default.
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• W2182692187 date "2014-01-01" @default.
• W2182692187 modified "2023-09-27" @default.
• W2182692187 title "Design of New Small Molecules based on Thiophene and Oxathiazole for bulk Heterojunction Solar cells: a Computational Study" @default.
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