Combined experimental and theoretical study of structural and optoelectronic properties of Polyfuran with its oligomers

摘要

In this work, a combination of experimental and theoretical study of Polyfuran and its oligomers, in their neutral and doped states, was reported. The effect of chain length on optoelectronic properties was discussed using the Density Functional Theory (DFT). Since the opto-electronic properties of this kind of conducting polymers are governed by their band gap, a comparison among Highest Occupied Molecular Orbital, Last Unoccupied Molecular Orbital and band Gap energies of these compounds shall be presented.