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 Mechanical Methods
Abubakar Maigari, A. B Suleiman, A. S. Gidado & Chifu E. Ndikilar · Journal of Materials Science Research and Reviews · 2022
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 cells, light-emitting diodes, displays, or other optoelectronic devices In this work, a theoretical study...
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Research Article