Duan Tainan, Feng Wanying, Li Yulu, Li Zhixiang, Zhang Zhe, Liang Huazhe, Chen Hongbin, Zhong Cheng, Jeong Seonghun, Yang Changduk, Chen Shanshan, Lu Shirong, Rakitin Oleg A, Li Chenxi, Wan Xiangjian, Kan Bin, Chen Yongsheng
State Key Laboratory and Institute of Elemento-Organic Chemistry, The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Renewable Energy Conversion and Storage Center (RECAST), College of Chemistry, Nankai University, Tianjin, 300071, China.
Chongqing Institute of Green and Intelligent Technology, Chongqing School, University of Chinese Academy of Sciences (UCAS Chongqing), Chinese Academy of Sciences, Chongqing, 400714, China.
Angew Chem Int Ed Engl. 2023 Oct 16;62(42):e202308832. doi: 10.1002/anie.202308832. Epub 2023 Sep 8.
In the molecular optimizations of non-fullerene acceptors (NFAs), extending the central core can tune the energy levels, reduce nonradiative energy loss, enhance the intramolecular (donor-acceptor and acceptor-acceptor) packing, facilitate the charge transport, and improve device performance. In this study, a new strategy was employed to synthesize acceptors featuring conjugation-extended electron-deficient cores. Among these, the acceptor CH-BBQ, embedded with benzobisthiadiazole, exhibited an optimal fibrillar network morphology, enhanced crystallinity, and improved charge generation/transport in blend films, leading to a power conversion efficiency of 18.94 % for CH-BBQ-based ternary organic solar cells (OSCs; 18.19 % for binary OSCs) owing to its delicate structure design and electronic configuration tuning. Both experimental and theoretical approaches were used to systematically investigate the influence of the central electron-deficient core on the properties of the acceptor and device performance. The electron-deficient core modulation paves a new pathway in the molecular engineering of NFAs, propelling relevant research forward.
在非富勒烯受体（NFAs）的分子优化中，扩展中心核可以调节能级、减少非辐射能量损失、增强分子内（供体-受体和受体-受体）堆积、促进电荷传输并改善器件性能。在本研究中，采用了一种新策略来合成具有共轭扩展缺电子核的受体。其中，嵌入苯并双噻二唑的受体CH-BBQ表现出最佳的纤维状网络形态、增强的结晶度以及共混膜中电荷产生/传输的改善，由于其精细的结构设计和电子构型调节，基于CH-BBQ的三元有机太阳能电池（OSCs）的功率转换效率达到18.94%（二元OSCs为18.19%）。实验和理论方法都被用于系统地研究中心缺电子核对受体性质和器件性能的影响。缺电子核调制为NFAs的分子工程开辟了一条新途径，推动了相关研究的发展。
