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<p>Halide perovskites have exceptional optoelectronic properties, including low carrier recombination rates; however, their stability remains a challenge. Point defects play a crucial role in determining their physical characteristics, as they affect carrier dynamics and serve as the initiation sites for various ion migration processes. In the past five years, advances in computational methodologies have deepened the understanding of defect behaviour in these materials. In this Review, we focus on the role of point defects in metal halide perovskites, their impact on carrier dynamics, and ion-migration-related behaviours, and we discuss new understandings of defect tolerance.</p>

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Point defects in metal halide perovskites

  • 期刊论文

  • 发表日期：

    2025年8月18日

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  • Nuo Xu,
  • Xinrui Qi,
  • Zhenqiang Shen,
  • Lianghe Hu,
  • Jun Lv,
  • Yufei Zhong,
  • Bing Wang,
  • Zhigang Zou

摘要

Halide perovskites have exceptional optoelectronic properties, including low carrier recombination rates; however, their stability remains a challenge. Point defects play a crucial role in determining their physical characteristics, as they affect carrier dynamics and serve as the initiation sites for various ion migration processes. In the past five years, advances in computational methodologies have deepened the understanding of defect behaviour in these materials. In this Review, we focus on the role of point defects in metal halide perovskites, their impact on carrier dynamics, and ion-migration-related behaviours, and we discuss new understandings of defect tolerance.