Crystallization of FAPbI3: Polytypes and stacking faults
Molecular dynamics simulations are performed to study the crystallization of formamidinium lead iodide. From all-atom simulations of the crystal growth process and the delta-alpha-phase transitions, we try to reveal the formation of various stack-faulted intermediate defected structures and report various polytypes of formamidinium lead iodide that are observed from simulations. (c) 2023 Author(s).
WOS:001087128400001
2023-10-21
159
15
151102
REVIEWED
EPFL
| Funder | Grant Number |
I am greatly thankful to Dr. Zhi Wang for his enormous help with Tinker-GPU code. I am sincerely thankful to insightful discussions, guidance and encouragement from Professor Michael Graetzel, Professor Chris Pickard, Professor Henry Snaith, Professor Davi | |
Department of Theoretical Chemistry at University of Cambridge | P500PN_206693 |
Swiss National Science Foundation through post-doc mobility Fellowship | |
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