DFT Study of Polythiophene Energy Band Gap and Substitution Effects
Polythiophene (PTh) and its derivatives are polymer-based materials with a π-conjugation framework. PTh is a useful photoelectric material and can be used in organic semiconductor devices, such as PLED, OLED, and solar cells. Their properties are based on molecular structure; the derivatives contain...
Main Authors: | Si. Mohamed Bouzzine, Guillermo Salgado-Morán, Mohamed Hamidi, Mohammed Bouachrine, Alison Geraldo Pacheco, Daniel Glossman-Mitnik |
---|---|
Format: | Article |
Language: | English |
Published: |
Hindawi Limited
2015-01-01
|
Series: | Journal of Chemistry |
Online Access: | http://dx.doi.org/10.1155/2015/296386 |
Similar Items
-
DFT study of bridged oligo(bithiophene)s. Conformational analysis and opto-electronic properties
by: Si Mohamed Bouzzine, et al.
Published: (2009-08-01) -
OPTOELECTRONIC PROPERTIES OF TRIPHENYLAMINE BASED DYES FOR SOLAR CELL APPLICATIONS. A DFT STUDY
by: Zakaria Mohyi Eddine Fahim, et al. -
DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap
by: Trung Vu Quoc, et al.
Published: (2021-01-01) -
Computational Nutraceutics: Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT
by: Jorge Ignacio Martínez-Araya, et al.
Published: (2013-01-01) -
A DFT study of the chemical reactivity of cimetidine A, C and D in the gas, H2O, MeOH and EtOH solvents
by: Mendoza Huizar Luis Humberto, et al.
Published: (2017-01-01)