Supramolecular force-driven non-fullerene acceptors as an electron-transporting layer for efficient inverted perovskite solar cells

Xiaofeng Huang, Dongdong Xia, Qian Xie, Deng Wang, Qian Li, Chaowei Zhao (), Jun Yin (), Fang Cao, Zhenhuang Su, Zixin Zeng, Wenlin Jiang, Werner Kaminsky, Kaikai Liu, Francis R. Lin, Qifan Feng, Binghui Wu, Sai-Wing Tsang, Dangyuan Lei, Weiwei Li () and Alex K.-Y. Jen ()
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Xiaofeng Huang: City University of Hong Kong
Dongdong Xia: Jiangxi Academy of Sciences
Qian Xie: Jiangxi Academy of Sciences
Deng Wang: City University of Hong Kong
Qian Li: City University of Hong Kong
Chaowei Zhao: City University of Hong Kong
Jun Yin: The Hong Kong Polytechnic University
Fang Cao: Xiamen University
Zhenhuang Su: Chinese Academy of Sciences
Zixin Zeng: City University of Hong Kong
Wenlin Jiang: City University of Hong Kong
Werner Kaminsky: University of Washington
Kaikai Liu: City University of Hong Kong
Francis R. Lin: City University of Hong Kong
Qifan Feng: City University of Hong Kong
Binghui Wu: Xiamen University
Sai-Wing Tsang: City University of Hong Kong
Dangyuan Lei: City University of Hong Kong
Weiwei Li: Beijing University of Chemical Technology
Alex K.-Y. Jen: City University of Hong Kong

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract Fullerene derivatives are widely employed as efficient electron-transporting layers (ETLs) in p-i-n perovskite photovoltaics but face challenges in mitigating interfacial recombination losses and ensuring stable film morphology. Non-fullerene acceptors (NFAs), commonly utilized in organic photovoltaics, present a promising alternative to fullerene-based ETLs. Nevertheless, the suboptimal performance of NFA-based devices underscores the need for molecular engineering to tailor their properties. Herein, we develop two Y-type NFAs, Y-Phen and Y-CE, by substituting the benzothiadiazole core of Y6 with higher-polarity phenanthroline and crown ether. These modifications effectively enhance carrier kinetics by (1) promoting ordered molecular assembly on the perovskite surface through supramolecular interactions, thereby optimizing interfacial energetic alignment, and (2) improving the molecular packing to facilitate efficient charge transport. Using Y-CE as the ETL, the device achieves a certified power conversion efficiency (PCE) of 25.59%. Furthermore, the optimized device exhibits less than 10% degradation in PCE after 1440 hours of thermal aging. This work offers valuable insights into designing NFA-based ETLs for high-performance perovskite photovoltaics.

Date: 2025
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DOI: 10.1038/s41467-025-56060-0

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