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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |