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On the Morphology of Group II Metal Fluoride Nanocrystals at Finite Temperature and Partial Pressure of HF

We have investigated the bulk and surface properties of the group II metal fluorides CaF [Formula: see text] , SrF [Formula: see text] and BaF [Formula: see text] using periodic density functional theory (DFT) calculations and surface thermodynamics. Our bulk results show that the best agreement wit...

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Detalles Bibliográficos
Autores principales:	Kaawar, Zeinab, Mahn, Stefan, Kemnitz, Erhard, Paulus, Beate
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6154342/ https://www.ncbi.nlm.nih.gov/pubmed/28430134 http://dx.doi.org/10.3390/molecules22040663

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