Azam Muhammad, Ma Yao, Zhang Boxue, Shao Xiangfeng, Wan Zhongquan, Zeng Huaibiao, Yin Haomiao, Luo Junsheng, Jia Chunyang
National Key Laboratory of Electronic Films and Integrated Devices, School of Integrated Circuit Science and Engineering, University of Electronic Science and Technology of China, Chengdu, P. R. China.
State Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou, Gansu Province, P. R. China.
Nat Commun. 2025 Jan 11;16(1):602. doi: 10.1038/s41467-025-55815-z.
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 Pb 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 N (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.
抑制钙钛矿体相和表面的深层次缺陷对于减少非辐射复合损失以及提高钙钛矿太阳能电池（PSC）的效率和稳定性而言不可或缺。在本研究中，开发了两种以硫族噻吩（n-Bu4S）和硒吩（n-Bu4Se）为基础、以四吡啶为桥连的路易斯碱，用于钝化钙钛矿薄膜中的缺陷。未配位的Pb和碘空位缺陷可通过形成路易斯酸碱加合物与硫族凹形基团和吡啶基团相互作用，特别是这两种缺陷都可被凹形分子包围，从而有效抑制电荷复合。这种方法使得n-i-p型PSC的功率转换效率（PCE）高达25.37%（认证值为25.18%），在65°C、1个太阳光照下按照N（ISOS-L-2协议）稳定运行1300小时，仍保留初始效率的94%。我们的工作为高性能光电器件通过配位策略利用碗状路易斯碱进行缺陷钝化提供了见解。
