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

Jiehao FuDepartment of Electrical and Electronic Engineering, Research Institute for Smart Energy (RISE), Photonic Research Institute (PRI), The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, 999077, PR ChinaQianguang YangSchool of Materials Science and Engineering, Taizhou University, Taizhou, 318000, PR ChinaPeihao HuangThin-Film Solar Cell Technology Research Center, Chongqing Institute of Green and Intelligent Technology, Chongqing School, University of Chinese Academy of Sciences (UCAS Chongqing), Chinese Academy of Sciences, Chongqing, 400714, PR ChinaSein ChungDepartment of Chemical Engineering, Pohang University of Science and Technology, Pohang, 37673, South KoreaKilwon ChoDepartment of Chemical Engineering, Pohang University of Science and Technology, Pohang, 37673, South KoreaZhipeng KanSchool of Physical Science and Technology, Guangxi University, Nanning, 530004, PR ChinaHeng LiuDepartment of Physics, The Chinese University of Hong Kong, Shatin, Hong Kong, 999077, PR ChinaXinhui LuDepartment of Physics, The Chinese University of Hong Kong, Shatin, Hong Kong, 999077, PR ChinaYongwen LangDepartment of Electrical and Electronic Engineering, Research Institute for Smart Energy (RISE), Photonic Research Institute (PRI), The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, 999077, PR ChinaHanjian LaiShenzhen Grubbs Institute and Department of Chemistry, Southern University of Science and Technology, Shenzhen, 518055, PR ChinaFeng HeShenzhen Grubbs Institute and Department of Chemistry, Southern University of Science and Technology, Shenzhen, 518055, PR ChinaW.K. FongDepartment of Electrical and Electronic Engineering, Research Institute for Smart Energy (RISE), Photonic Research Institute (PRI), The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, 999077, PR ChinaShirong LuSchool of Materials Science and Engineering, Taizhou University, Taizhou, 318000, PR China. [email protected]Yang YangDepartment of Materials Science and Engineering, University of California Los Angeles (UCLA), Los Angeles, CA, 90095, USAZeyun XiaoThin-Film Solar Cell Technology Research Center, Chongqing Institute of Green and Intelligent Technology, Chongqing School, University of Chinese Academy of Sciences (UCAS Chongqing), Chinese Academy of Sciences, Chongqing, 400714, PR China. [email protected]Gang LiDepartment of Electrical and Electronic Engineering, Research Institute for Smart Energy (RISE), Photonic Research Institute (PRI), The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, 999077, PR China. [email protected]

2024en

ABI

Annotatsiya

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.

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DOI: 10.1038/s41467-024-46022-3

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