The Influence of Donor/Acceptor Interfaces on Organic Solar Cells Efficiency and Stability Revealed through Theoretical Calculations and Morphology Characterizations

混溶性 有机太阳能电池 接受者 富勒烯 材料科学 能量转换效率 产量(工程) 光电效应 化学 化学工程 光电子学 有机化学 聚合物 物理 复合材料 工程类 凝聚态物理
作者
Jingyu Shi,Kexuan Sun,Zhenyu Chen,Yi Qiu,Hui Liu,Wei Ma,Quan Liu,Ziyi Ge
出处
期刊:Angewandte Chemie [Wiley]
卷期号:136 (10)
标识
DOI:10.1002/ange.202318360
摘要

Abstract End‐groups halogenation strategies, generally refers to fluorination and chlorination, have been confirmed as simple and efficient methods to regulate the photoelectric performance of non‐fullerene acceptors (NFAs), but a controversy over which one is better has existed for a long time. Here, two novel NFAs, C9N3‐4F and C9N3‐4Cl, featured with different end‐groups were successfully synthesized and blended with two renowned donors, D18 and PM6, featured with different electron‐withdrawing units. Detailed theoretical calculations and morphology characterizations of the interface structures indicate NFAs based on different end‐groups possess different binding energy and miscibility with donors, which shows an obvious influence on phase‐separation morphology, charge transport behavior and device performance. After verified by other three pairs of reported NFAs, a universal conclusion obtained as the devices based on D18 with fluorination‐end‐groups‐based NFAs and PM6 with chlorination‐end‐groups‐based NFAs generally show excellent efficiencies, high fill factors and stability. Finally, the devices based on D18: C9N3‐4F and PM6: C9N3‐4Cl yield outstanding efficiency of 18.53 % and 18.00 %, respectively. Suitably selecting donor and regulating donor/acceptor interface can accurately present the photoelectric conversion ability of a novel NFAs, which points out the way for further molecular design and selection for high‐performance and stable organic solar cells.
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