近日，广东石油化工大学刘诗咏团队实现了调整高效三元有机太阳能电池受体中心苯核的氟化模式。相关论文于2026年2月2日发表在《结构化学》杂志上。

在三元有机太阳能电池（T-OSCs）中引入第三组分是提升其能量转换效率（PCE）的有效策略。受体分子的氟化程度对调节能级、分子堆积和共混相容性至关重要，但目前关于氟化模式的系统性研究仍较为缺乏。

研究组通过原子经济的直接C–H芳基化路线，合成了三种在中心苯环上具有不同氟取代模式的新型氟化受体（o-2F、p-2F和t-4F），系统研究了氟取代模式对分子构象、聚集行为和器件性能的影响。理论计算表明，增加氟化可显著提升分子平面性。器件性能测试显示，邻位二氟化受体o-2F有利于形成适宜的纳米尺度相分离，并促进高效电荷传输。

因此，基于PM6:Y6:o-2F的三元体系相较于PM6:Y6二元体系，其PCE从16.16%显著提升至17.41%，同时开路电压（从0.83 V增至0.85 V）、短路电流密度（从26.45增至27.19 mA cm^-2）和填充因子（从73.56%升至75.33%）均得到同步改善。相比之下，过度氟化的t-4F导致结晶性过强，限制了其形貌优化空间，因而对PCE的提升作用有限。研究组强调了通过合理的氟化设计在分子平面性与聚集行为之间取得平衡的重要性，为开发高性能三元有机太阳能电池受体材料提供了有价值的指导。

附：英文原文

Title: Tuning fluorination patterns on the central benzene core of acceptors for high-efficiency ternary organic solar cells

Author: anonymous

Issue&Volume: 2026-02-02

Abstract: The incorporation of a third component to ternary organic solar cells (T-OSCs) is an effective strategy for enhancing the power conversion efficiency (PCE). While the fluorination extent of acceptor molecules is critical for modulating energy levels, molecular packing, and blend compatibility, systematic studies on the fluorination pattern remain scarce. In this work, we synthesized three novel fluorinated acceptors (o-2F, p-2F, and t-4F) with varied fluorine substitution patterns on the central benzene core via an atom-economical direct C–H arylation route. The influence of the fluorine substitution motif on molecular conformation, aggregation behavior, and device performance was systematically investigated. Theoretical calculations revealed that increased fluorination significantly enhances molecular planarity. Device performance tests demonstrated that the ortho-difluorinated acceptor o-2F promotes favorable nanoscale phase separation and facilitates efficient charge transport. Consequently, the PM6:Y6:o-2F-based TOSCs achieved a notable improvement in PCE from 16.16% to 17.41% compared to the PM6:Y6 binary counterpart, accompanied by concurrent enhancements in open-circuit voltage (from 0.83 V to 0.85 V), short-circuit current (from 26.45 to 27.19 mA cm-2), and fill factor (from 73.56% to 75.33%). In contrast, the excessively fluorinated t-4F led to overly enhanced crystallinity, resulting in limited morphological optimization and marginal PCE improvement. This study underscores the importance of balancing molecular planarity and aggregation through rational fluorination design, providing valuable guidance for developing high-performance acceptor materials for T-OSCs.

DOI: 10.1016/j.cjsc.2026.100886

Source: https://cjsc.ac.cn/cms/issues/996