Unraveling the Role of Π - Conjugation in Thiophene Oligomers for Optoelectronic Properties by DFT/TDDFT Approach

ABSTRACT Thiophene oligomer has been investigated using DFT/TDDFT calculations with an aim to check its suitability for opto electronic applications and also to analyse the influence of π-bridge. Our results revealed that thiophene oligomers have excellent π-conjugation throughout. FMO analysis give...

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Bibliographic Details
Main Authors: Gajalakshmi, V. Tamilmani
Format: Article
Language:English
Published: Instituto de Tecnologia do Paraná (Tecpar)
Series:Brazilian Archives of Biology and Technology
Subjects:
PCM
NBO
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132016000300400&lng=en&tlng=en