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

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.

SUBMITTER: Fu J 

PROVIDER: S-EPMC10902355 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature

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

Fu Jiehao J   Yang Qianguang Q   Huang Peihao P   Chung Sein S   Cho Kilwon K   Kan Zhipeng Z   Liu Heng H   Lu Xinhui X   Lang Yongwen Y   Lai Hanjian H   He Feng F   Fong Patrick W K PWK   Lu Shirong S   Yang Yang Y   Xiao Zeyun Z   Li Gang G  

Nature communications 20240228 1

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 photoelect  ...[more]

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