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, Gang Li

Research output: Journal article publicationJournal articleAcademic researchpeer-review

23 Citations (Scopus)


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.

Original languageEnglish
Article number1830
JournalNature Communications
Issue number1
Publication statusPublished - 28 Feb 2024

ASJC Scopus subject areas

  • General Chemistry
  • General Biochemistry,Genetics and Molecular Biology
  • General Physics and Astronomy


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