Two different non‐fullerene small‐molecule acceptors, m‐PIB and p‐PIB, based on 9,9′‐bifluorenylidene (BF) and perylene diimide (PDI) were designed and synthesized. Four β‐substituted PDIs were linked to BF in different positions. Based on DFT analysis, derivative p‐PIB exhibited reduced intramolecular twisting between the PDI moieties, more delocalized wave function, and sufficiently wider π‐electron delocalization than that of m‐PIB. The absorption ability of p‐PIB was enhanced due to increased intermolecular interactions. By blending p‐PIB with poly{4,8‐bis[5‐(2ethylhexyl)thiophen‐2‐yl]benzo[1,2‐b:4,5‐b′]dithiophene‐co‐3‐fluorothieno[3,4‐b]‐thiophene‐2‐carboxylate} (PTB7‐Th), organic solar cells (OSCs) based on p‐PIB obtained a maximum power conversion efficiency of 5.95 % without any treatments. Due to the improved and balanced hole and electron mobilities, the short‐circuit current and fill factor of OSCs based on PTB7‐Th and p‐PIB were significantly increased. The AFM and TEM results revealed that the PTB7‐Th:p‐PIB film had favorable nanoscale phase separation and formed a bicontinuous interpenetrating network.

中文翻译：

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铸态非富勒烯有机太阳能电池的9,9'-联芴基-核心Per二酰亚胺受体：对光电性能的异构效应

设计并合成了基于9,9'-联芴基（BF）和per二酰亚胺（PDI）的两种不同的非富勒烯小分子受体m - PIB和p- PIB。四个β取代的PDI在不同位置与BF连接。根据DFT分析，与m- PIB相比，导数p- PIB的PDI部分之间的分子内扭曲减少，离域波函数更多，π电子离域更充分。p- PIB的吸收能力由于分子间相互作用的增加而增强。通过将p- PIB与聚{4,8-双[5-（2-乙基己基）噻吩-2-基]苯并[1,2-b：4,5- B' ] dithiophene-共-3- fluorothieno [3,4 b ] -噻吩-2-羧酸甲酯}（PTB7-TH）的基础上，有机太阳能电池（OSC）p -PIB获得最大未经任何处理的功率转换效率为5.95％。由于改进的和平衡的空穴和电子迁移率，基于PTB7-Th和有机太阳能电池的短路电流和填充因子p -PIB均显著增加。AFM和TEM结果表明PTB7-Th：p - PIB薄膜具有良好的纳米级相分离并形成了双连续的互穿网络。