Density functional theory analysis for the limitations of fluoranthene-fused imide based small molecule acceptor materials in photovoltaic performance
Computational and Theoretical Chemistry（2019）
Abstract
•“D-A-D” structure wouldn’t play an effective role in charge transfer.•Substituent groups affect photoelectric properties.•Increasing the number of electron withdrawing groups is not a wise choice.
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Key words
Organic photovoltaic cells,Small molecule acceptor,Fluoranthene-fused imide,Nannulated bridges,Density functional theory
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