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<p>The commercialization of perovskite solar cells (PSCs) is hindered by stability issues that primarily stem from interfacial defects. This study employed a machine learning (ML) screening approach and constructed a learnable weighted ensemble model (LWEM) to enhance prediction robustness for identifying effective interface passivation materials. The ML model predicted that an imidazolium salt-based interface modifier, 1-benzyl-3-methylimidazolium tetrafluoroborate (BMT), is suitable for planar n-i-p PSCs. Subsequent experimental results demonstrated that BMT provides synergistic passivation via an “ion-coordination dual-lock” mechanism that significantly suppresses non-radiative recombination, facilitates hole extraction, and improves the quality of the perovskite film. The BMT-modified devices achieve a significant increase in power conversion efficiency (PCE) from 22.45% to 24.89% under AM 1.5G illumination, and attain a high PCE of 41.31% under 1000 lux light emitting diode (LED) indoor lighting. Additionally, the modified devices exhibit outstanding stability under long-term storage and maximum power point tracking conditions. This work provides a strategy for developing high-performance and highly stable PSCs for both indoor and outdoor applications.</p>

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A weighted ensemble model for screening passivation materials in high-efficiency perovskite solar cells

  • 期刊论文

  • 发表日期：

    2026年5月13日

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  • Xinxin Xu,
  • Jiazheng Wang,
  • Qiang Lou,
  • Haibiao Chen,
  • Gehan Amaratunga,
  • Hao Zhang,
  • Jiahao Wu,
  • Maojun Sun,
  • Haocheng Huang,
  • Hang Zhou

摘要

The commercialization of perovskite solar cells (PSCs) is hindered by stability issues that primarily stem from interfacial defects. This study employed a machine learning (ML) screening approach and constructed a learnable weighted ensemble model (LWEM) to enhance prediction robustness for identifying effective interface passivation materials. The ML model predicted that an imidazolium salt-based interface modifier, 1-benzyl-3-methylimidazolium tetrafluoroborate (BMT), is suitable for planar n-i-p PSCs. Subsequent experimental results demonstrated that BMT provides synergistic passivation via an “ion-coordination dual-lock” mechanism that significantly suppresses non-radiative recombination, facilitates hole extraction, and improves the quality of the perovskite film. The BMT-modified devices achieve a significant increase in power conversion efficiency (PCE) from 22.45% to 24.89% under AM 1.5G illumination, and attain a high PCE of 41.31% under 1000 lux light emitting diode (LED) indoor lighting. Additionally, the modified devices exhibit outstanding stability under long-term storage and maximum power point tracking conditions. This work provides a strategy for developing high-performance and highly stable PSCs for both indoor and outdoor applications.