晶界
铅（地质）
卤化物
材料科学
钙钛矿（结构）
冶金
化学
地质学
结晶学
无机化学
微观结构
地貌学
作者
Walter Kaiser,Kashif Hussain,Ajay Singh,Asma A. Alothman,Daniele Meggiolaro,Alessio Gagliardi,Edoardo Mosconi,Filippo De Angelis
出处
期刊：Journal of materials chemistry. A, Materials for energy and sustainability
[The Royal Society of Chemistry]
日期：2022-01-01
卷期号：10 (46): 24854-24865
被引量：12
摘要
First-principles simulations reveal the competition of defect formation and healing at grain boundaries in lead-halide perovskites. Fast halide migration at GBs mediates structural healing, but also gives rise to enhanced Frenkel defect formation.
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