Browsing Artikel und Monographien by Author "Kaawar, Zeinab"

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2017-04-21Zeitschriftenartikel

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

Kaawar, Zeinab; Mahn, Stefan; Kemnitz, Erhard; Paulus, Beate

We have investigated the bulk and surface properties of the group II metal fluorides CaF 2 , SrF 2 and BaF 2 using periodic density functional theory (DFT) calculations and surface thermodynamics. Our bulk results show ...