DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap

The content of this paper focuses/shed light on the effects of X (X = S in P1 and X = O in P2) in C11H7NSX and R (R = H in P3, R = OCH3 in P4, and R = Cl in P5) in C18H9ON2S2-R on structural features and band gaps of the polythiophenes containing benzo[d]thiazole and benzo[d]oxazole by the Density F...

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Hauptverfasser: Trung Vu Quoc, Dai Do Ba, Duong Tran Thi Thuy, Linh Nguyen Ngoc, Chinh Nguyen Thuy, Huong Vu Thi, Linh Duong Khanh, Oanh Doan Thi Yen, Hoang Thai, Van Cao Long, Stefan Talu, Dung Nguyen Trong
Format: Artigo
Sprache:Inglês
Veröffentlicht: Taylor & Francis Group 2021-01-01
Schriftenreihe:Designed Monomers and Polymers
Schlagworte:
polythiophene
band gap
dft
benzo[d]thiazole
benzo[d]oxazole
Online Zugang:http://dx.doi.org/10.1080/15685551.2021.1971376
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