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

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 structure and optical properties of the studied...

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Bibliographic Details
Main Authors: Aziz El Alamy, Amina Amine, Mohammed Bouachrine
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2017-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
-conjugated molecules
oligothiophenes
optoelectronic properties
DFT
TDDFT
organic solar cell
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/16497

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https://periodicos.ufms.br/index.php/orbital/article/view/16497

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