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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).
Lyesse Laloui, Dimitrios Terzis, Ariadni Elmaloglou
Francesco Stellacci, Paulo Henrique Jacob Silva, Alejandro Lapresta Fernandez
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