Theoretical design of low bandgap donor–acceptor (D-A) monomers for polymer solar cells: DFT and TD-DFT study

Endeavors have been made to construct new donor–acceptor (D-A) monomers utilizing 9 H-carbazole (CB) as electron donors and different electron acceptors. All estimations were finished using DFT and TD-DFT, and B3LYP level with a 6–311 G basis set in the gas and chloroform solvent. The impacts of the...

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Main Authors: Said A.H. Vuai, Numbury Surendra Babu
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis Group 2021-01-01
Colecção:Designed Monomers and Polymers
Assuntos:
carbazole
dft and td-dft methods
donor–acceptor (d-a)
optoelectronic properties
Acesso em linha:http://dx.doi.org/10.1080/15685551.2021.1921923
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