DFT Study of Electronic and Optical Properties of Small Oligothiophenes Based on Terthiophene End-capped by Several Donor Groups

DFT Study of Electronic and Optical Properties of Small Oligothiophenes Based on Terthiophene End-capped by Several Donor Groups

<p class="orbitalabstract">Eight small molecules based on terthiophene end-capped by several donor groups have been carried out using density functional theory (DFT) and time-dependent (TDDFT) methods in neutral and doped states. The theoretical ground-state geometry, electronic stru...

Full description

Bibliographic Details
Main Authors: El Alamy Aziz, Amine Amina, Bouachrine Mohammed
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2017-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
pi-conjugated molecules
oligothiophenes
optoelectronic properties
dft
tddft
organic solar cell
Online Access:http://orbital.ufms.br/index.php/Chemistry/article/view/995

Internet

http://orbital.ufms.br/index.php/Chemistry/article/view/995

Similar Items