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Rational molecular and device design enables organic solar cells approaching 20% efficiency
Fu, Jiehao1; Yang, Qianguang2,3,4; Huang, Peihao3,4; Chung, Sein5; Cho, Kilwon5; Kan, Zhipeng6; Liu, Heng7; Lu, Xinhui7; Lang, Yongwen1,8,9; Lai, Hanjian8,9
2024-02-28
摘要For organic solar cells to be competitive, the light-absorbing molecules should simultaneously satisfy multiple key requirements, including weak-absorption charge transfer state, high dielectric constant, suitable surface energy, proper crystallinity, etc. However, the systematic design rule in molecules to achieve the abovementioned goals is rarely studied. In this work, guided by theoretical calculation, we present a rational design of non-fullerene acceptor o-BTP-eC9, with distinct photoelectric properties compared to benchmark BTP-eC9. o-BTP-eC9 based device has uplifted charge transfer state, therefore significantly reducing the energy loss by 41 meV and showing excellent power conversion efficiency of 18.7%. Moreover, the new guest acceptor o-BTP-eC9 has excellent miscibility, crystallinity, and energy level compatibility with BTP-eC9, which enables an efficiency of 19.9% (19.5% certified) in PM6:BTP-C9:o-BTP-eC9 based ternary system with enhanced operational stability. A systematic design of light-absorbing molecules is challenging for them to satisfy multiple key requirements for efficient solar cell application. Here, the authors optimize halogen substitution position in terminal groups of acceptors for realizing ternary cells with efficiency approaching 20%.
DOI10.1038/s41467-024-46022-3
发表期刊NATURE COMMUNICATIONS
卷号15期号:1页码:10
通讯作者Lu, Shirong(lushirong@cigit.ac.cn) ; Xiao, Zeyun(xiao.z@cigit.ac.cn) ; Li, Gang(gang.w.li@polyu.edu.hk)
收录类别SCI
WOS记录号WOS:001178091600004
语种英语