Theoretical design of low bandgap donor–acceptor (D-A) monomers for polymer solar cells: DFT and TD-DFT study
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چکیده
منابع مشابه
DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells
BACKGROUND Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, to shed light on how the π-conjugation order influence the performance of the solar cells. The electron acceptor group was 2-cyanoacrylic for all compounds, wher...
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ژورنال
عنوان ژورنال: Designed Monomers and Polymers
سال: 2021
ISSN: 1568-5551
DOI: 10.1080/15685551.2021.1921923