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<p>Incorporating organic molecules with diverse functional groups to improve film quality has emerged as a crucial strategy for realizing high-performance perovskite solar cells (PSCs). Nevertheless, the role of spatial distribution of those functional groups in governing passivation efficacy and perovskite crystallization remains insufficiently investigated. Here, we introduce three amino-containing molecules, bis(4-aminophenyl)methane (2APM), tris(4-aminophenyl)methane (3APM) and tetrakis(4-aminophenyl)methane (4APM), featuring distinct spatial distributions of amino groups, into the perovskite precursor solution as in-situ regulators. Among them, 4APM exhibits the strongest interactions with PbI<sub>2</sub> and formamidinium iodide (FAI) by virtue of its three-dimensional (3D) distribution of&#xa0;amino groups, most effectively suppressing undercoordinated Pb<sup>2+</sup> defects and enhancing perovskite film crystallinity. As a result, PSCs incorporating 4APM achieve a stabilized power conversion efficiency (PCE) of 26.26%, while retaining over 95% of their initial efficiency after 1000 h of continuous operation at maximum power point under 1-sun illumination in a N<sub>2</sub> atmosphere at 65 °C. Furthermore, 4APM-based perovskite solar modules (PSMs) with an active area of 14.0 cm<sup>2</sup> deliver a PCE of 23.16%. Our findings underscore the critical role of functional group’s spatial distribution in the rational design of molecular passivators for perovskite photovoltaics.</p>

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Three-dimensional distribution of amino groups improves perovskite crystallization and defect passivation in high-performance photovoltaics

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年7月25日

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  • Xiaoqing Jiang,
  • Guangyue Yang,
  • Bingqian Zhang,
  • Yu Lei,
  • Panyu Wang,
  • Na Shi,
  • Kaiwen Dong,
  • Likai Zheng,
  • Yue Qiang,
  • Shiwei Liu,
  • Zhongjin Shen,
  • Marina Freitag,
  • Chongwen Li,
  • Shuping Pang,
  • Mohammad khaja Nazeeruddin,
  • Xin Guo

摘要

Incorporating organic molecules with diverse functional groups to improve film quality has emerged as a crucial strategy for realizing high-performance perovskite solar cells (PSCs). Nevertheless, the role of spatial distribution of those functional groups in governing passivation efficacy and perovskite crystallization remains insufficiently investigated. Here, we introduce three amino-containing molecules, bis(4-aminophenyl)methane (2APM), tris(4-aminophenyl)methane (3APM) and tetrakis(4-aminophenyl)methane (4APM), featuring distinct spatial distributions of amino groups, into the perovskite precursor solution as in-situ regulators. Among them, 4APM exhibits the strongest interactions with PbI2 and formamidinium iodide (FAI) by virtue of its three-dimensional (3D) distribution of amino groups, most effectively suppressing undercoordinated Pb2+ defects and enhancing perovskite film crystallinity. As a result, PSCs incorporating 4APM achieve a stabilized power conversion efficiency (PCE) of 26.26%, while retaining over 95% of their initial efficiency after 1000 h of continuous operation at maximum power point under 1-sun illumination in a N2 atmosphere at 65 °C. Furthermore, 4APM-based perovskite solar modules (PSMs) with an active area of 14.0 cm2 deliver a PCE of 23.16%. Our findings underscore the critical role of functional group’s spatial distribution in the rational design of molecular passivators for perovskite photovoltaics.