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

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 2 , SrF 2 and BaF 2 using periodic density functional theory (DFT) calculations and surface thermodynamics. Our bulk results show that the best agreement with experiment is achieved with t...

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Bibliographic Details
Main Authors: Zeinab Kaawar, Stefan Mahn, Erhard Kemnitz, Beate Paulus
Format: Article
Language:English
Published: MDPI AG 2017-04-01
Series:Molecules
Subjects:
nanocrystals
DFT calculations
surface thermodynamics
TEM measurements
Online Access:http://www.mdpi.com/1420-3049/22/4/663

Internet

http://www.mdpi.com/1420-3049/22/4/663

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