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Tailoring pyridine bridged chalcogen-concave molecules for defects passivation enables efficient and stable perovskite solar cells

Author

Listed:
  • Muhammad Azam

    (University of Electronic Science and Technology of China)

  • Yao Ma

    (Lanzhou University)

  • Boxue Zhang

    (PSL University CNRS)

  • Xiangfeng Shao

    (Lanzhou University)

  • Zhongquan Wan

    (University of Electronic Science and Technology of China)

  • Huaibiao Zeng

    (University of Electronic Science and Technology of China)

  • Haomiao Yin

    (University of Electronic Science and Technology of China)

  • Junsheng Luo

    (University of Electronic Science and Technology of China)

  • Chunyang Jia

    (University of Electronic Science and Technology of China)

Abstract

Suppressing deep-level defects at the perovskite bulk and surface is indispensable for reducing the non-radiative recombination losses and improving efficiency and stability of perovskite solar cells (PSCs). In this study, two Lewis bases based on chalcogen-thiophene (n-Bu4S) and selenophene (n-Bu4Se) having tetra-pyridine as bridge are developed to passivate defects in perovskite film. The uncoordinated Pb2+ and iodine vacancy defects can interact with chalcogen-concave group and pyridine group through the formation of the Lewis acid-base adduct, particularly both the defects can be surrounded by concave molecules, resulting in effective suppression charge recombination. This approach enables a power conversion efficiency (PCE) as high as 25.37% (25.18% certified) for n-i-p PSCs with stable operation at 65 °C and 1-sun illumination for 1300 hours in N2 (ISOS-L-2 protocol), retaining 94% of the initial efficiency. Our work provides insight into the bowl-shaped Lewis base in defects passivation by coordinated strategy for high-performance photovoltaic devices.

Suggested Citation

  • Muhammad Azam & Yao Ma & Boxue Zhang & Xiangfeng Shao & Zhongquan Wan & Huaibiao Zeng & Haomiao Yin & Junsheng Luo & Chunyang Jia, 2025. "Tailoring pyridine bridged chalcogen-concave molecules for defects passivation enables efficient and stable perovskite solar cells," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-55815-z
    DOI: 10.1038/s41467-025-55815-z
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