Lattice expansion of hybrid perovskite inhibits halogen interstitial generation and enhances solar cell performance

Tongtong Lu, Zhiya Dang (), Yuqing Luo, Yang Li, Xiaobin Rao, Zhe Zhang, Yuecheng Hu, Zelong Chen, Zihao Li, Urko Petralanda (), Jiangsheng Xie, Jiancan Yu and Pingqi Gao ()
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Tongtong Lu: Sun Yat-sen University
Zhiya Dang: Sun Yat-sen University
Yuqing Luo: Sun Yat-sen University
Yang Li: Sun Yat-sen University
Xiaobin Rao: Sun Yat-sen University
Zhe Zhang: Sun Yat-sen University
Yuecheng Hu: Sun Yat-sen University
Zelong Chen: Sun Yat-sen University
Zihao Li: Sun Yat-sen University
Urko Petralanda: University of the Basque Country UPV/EHU
Jiangsheng Xie: Sun Yat-sen University
Jiancan Yu: Sun Yat-sen University
Pingqi Gao: Sun Yat-sen University

Nature Communications, 2025, vol. 16, issue 1, 1-13

Abstract: Abstract One of the primary challenges for halide perovskite technology lies in its instability. Water is a ubiquitous environmental factor known to induce lattice expansion to perovskite. Lattice expansion has been proven beneficial to perovskite solar cell, but little is known about its role in lattice stability. In this work, we expose perovskites with pre-adsorbed water to vacuum and investigate the evolution of their structure. Our results show that vacuum induces water desorption and results in the removal of lattice expansion. This lattice recovery leads to an increasing lattice distortion, ultimately favoring the formation of halogen trimers in the case of hybrid perovskites. We thus find that the lack of lattice expansion facilitates the generation of defects detrimental to hybrid perovskite devices. Here, we report the crucial role of lattice expansion in preventing degradation of hybrid halide perovskites, which is of critical importance in the context of solar cell fabrication.

Date: 2025
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DOI: 10.1038/s41467-025-63693-8

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