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 …

Density Functional Theory Study of the Effect of Mono-Halogen Substitution on Electronic and Non-Linear Optical Properties of Porphyrin

ZH Bashir, AM Nura, AS Gidado… - Journal of Energy …, 2023 - science.sdpublishers.org
Porphyrin is an organic macrocycle compound, with a chemical formular (C20H14N4) it act
as important components in various technological application like solar cell, due to their …