Rational molecular and device design enables organic solar cells approaching 20% efficiency

Jiehao Fu, Qianguang Yang, Peihao Huang, Sein Chung, Kilwon Cho, Zhipeng Kan, Heng Liu, Xinhui Lu, Yongwen Lang, Hanjian Lai, Feng He, Patrick W. K. Fong, Shirong Lu (), Yang Yang, Zeyun Xiao () and Gang Li ()
Additional contact information
Jiehao Fu: The Hong Kong Polytechnic University, Hung Hom
Qianguang Yang: Taizhou University
Peihao Huang: University of Chinese Academy of Sciences (UCAS Chongqing), Chinese Academy of Sciences
Sein Chung: Pohang University of Science and Technology
Kilwon Cho: Pohang University of Science and Technology
Zhipeng Kan: Guangxi University
Heng Liu: The Chinese University of Hong Kong
Xinhui Lu: The Chinese University of Hong Kong
Yongwen Lang: The Hong Kong Polytechnic University, Hung Hom
Hanjian Lai: Southern University of Science and Technology
Feng He: Southern University of Science and Technology
Patrick W. K. Fong: The Hong Kong Polytechnic University, Hung Hom
Shirong Lu: Taizhou University
Yang Yang: University of California Los Angeles (UCLA)
Zeyun Xiao: University of Chinese Academy of Sciences (UCAS Chongqing), Chinese Academy of Sciences
Gang Li: The Hong Kong Polytechnic University, Hung Hom

Nature Communications, 2024, vol. 15, issue 1, 1-10

Abstract: Abstract 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.

Date: 2024
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DOI: 10.1038/s41467-024-46022-3

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