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Classical Force-Field Parameters for CsPbBr(3) Perovskite Nanocrystals

[Image: see text] Understanding the chemico-physical properties of colloidal semiconductor nanocrystals (NCs) requires exploration of the dynamic processes occurring at the NC surfaces, in particular at the ligand–NC interface. Classical molecular dynamics (MD) simulations under realistic conditions...

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Detalles Bibliográficos
Autores principales:	Pascazio, Roberta, Zaccaria, Francesco, van Beek, Bas, Infante, Ivan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9207923/ https://www.ncbi.nlm.nih.gov/pubmed/35747512 http://dx.doi.org/10.1021/acs.jpcc.2c00600

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