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

Muhammad Azam, Yao Ma, Boxue Zhang, Xiangfeng Shao (), Zhongquan Wan (), Huaibiao Zeng, Haomiao Yin, Junsheng Luo () and Chunyang Jia ()
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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

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

Abstract: 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.

Date: 2025
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DOI: 10.1038/s41467-025-55815-z

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