Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study
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DOI: 10.22036/pcr.2018.119110.1470
Abstract: Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations were carried out for the oligomers of 3, 4- Ethylenedioxythiophene –Aniline (EDOT-Ani), 3, 4-Ethylenedithiafurane- Aniline (EDTF-Ani) and Thieno [3,4-b] benzene-Aniline (PITN-Ani). Structural parameters, electrical conductivity,… read more here.
Keywords: aniline; pitn ani; edot ani; structural electronic ... See more keywords