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Titel:

Halide-Driven Formation of Lead Halide Perovskites: Insight from Ab Initio Molecular Dynamics Simulations

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Kaiser, W.; Mosconi, E.; Alothman, A.A.; Meggiolaro, D.; Gagliardi, A.; De Angelis, F.
Abstract:
Controlling the crystallization mechanism of metal halide perovskites is of utmost importance to grow defect-less perovskite layers for efficient solar cells and optoelectronic devices. Despite its relevance, there is a lack of microscopic understanding of the nucleation and crystallization processes during the formation of the perovskite phase from its precursors. To unveil the electronic and atomistic features of this process we carry out ab initio molecular dynamics simulations on a model sys...     »
Zeitschriftentitel:
Mater. Adv.,2, 3915-3926 2021-05
Jahr:
2021
Jahr / Monat:
2021-05
Quartal:
2. Quartal
Monat:
May
Sprache:
en
Volltext / DOI:
doi:10.1039/D1MA00371B
WWW:
https://pubs.rsc.org/en/content/articlehtml/2021/ma/d1ma00371b
Verlag / Institution:
Royal Society of Chemistry
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