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	Electronic Configuration Tuning of Centrally Extended Non-Fullerene Acceptors Enabling Organic Solar Cells with Efficiency Approaching 19?%
	Duan, Tainan1,2,3,6; Feng, Wanying1,2,3; Li, Yulu6; Li, Zhixiang1,2,3; Zhang, Zhe1,2,3; Liang, Huazhe1,2,3; Chen, Hongbin1,2,3; Zhong, Cheng5; Jeong, Seonghun7; Yang, Changduk7
	2023-09-08
摘要	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. A series of acceptors featuring conjugation-extended electron-deficient cores were synthesized via a newly developed strategy for organic solar cells, and power conversion efficiencies (PCEs) of up to & AP;19 % were achieved. The properties of new acceptors were systematically investigated and elucidated experimentally and computationally.image
关键词	Electron-Deficient Central Core Electronic Configuration Tuning Non-Fullerene Acceptor Organic Solar Cells Molecular Dynamics Simulations
DOI	10.1002/anie.202308832
发表期刊	ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
ISSN	1433-7851
页码	11
通讯作者	Zhong, Cheng(zhongcheng@whu.edu.cn) ; Kan, Bin(kanbin04@nankai.edu.cn) ; Chen, Yongsheng(yschen99@nankai.edu.cn)
收录类别	SCI
WOS记录号	WOS:001060400300001
语种	英语