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Neutral and doped oligofurans as low gap organic materials, electronic and absorption properties | Abstract
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European Journal of Applied Engineering and Scientific Research

Abstract

Neutral and doped oligofurans as low gap organic materials, electronic and absorption properties

Author(s): Ouafae Ninisa, Mustapha Abarkan, Hamid Toufik, Mohammed Bouachrine, Si Mohamed Bouzzine, Mohamed Hamidi

The Polyfuran belong to an important class of conjugated systems whose electronic properties strongly improve under doping. In the present paper, theoretical analysis of the molecules of oligofurans has been reported. The methodology adopted is based on DFT (B3LYP/ 6-31(G) (d) calculations. The electronic, electrochemical and absorption properties were determined for the studied compounds. Strong agreement between estimated properties and available experimental data sustains use of this computational method.