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