Density functional theory study of the structural, electronic, non-linear optical and thermodynamic properties of poly (3-Hexylthiophene-2, 5-Diyl) in gas phase and in …

AB Suleiman, A Maigari… - Physical Science …, 2022 - article.publish4promo.com
Poly (3-hexylthiophene-2, 5-diyl)(P3HT) and its derivatives are polymer based materials with
π conjugation framework. P3HT is useful photoelectric material and can be used in organic …

Electronic Structure, Charge-transfer and Optical Properties of Neutral, Anionic and Cationic Poly (3-hexylthiophene-2, 5-diyl)(P3HT) Using DFT and TD-DFT Quantum …

A Maigari, AB Suleiman… - Journal of Materials …, 2022 - research.sdpublishers.net
Poly (3-hexylthiophene-2, 5-diyl)(P3HT) is a semiconducting polymer that is useful in
photoelectric material and can be used as a promising material for applications in solar …

Effects of Mono-Halogen-Substitution on the Electronic and Non-Linear Optical Properties of Poly (3-hexylthiophene-2, 5-diyl) for Solar Cell Applications: A DFT …

CE Ndikilar, AS Gidado, AB Suleiman… - Journal of Energy …, 2022 - go7publish.com
Poly (3-hexylthiophene-2, 5-diyl) with the acronym P3HT and its derivatives are p-type
conjugated semiconductor polymers that have been proved to be good organic …

Density Functional Theory Investigation of the Doping Effects of Bromine and Fluorine on the Electronic and Optical Properties of Neutral and Ionic Perylene

AA Abubakar, AB Suleiman… - Physical Science …, 2021 - publish7promo.com
Perylene and its derivatives are some of the promising organic semiconductors. They have
found vast applications in many areas such as photovoltaic systems, organic light-emitting …