A Computational Study of AlF<sub>3</sub> and ACF Surfaces

By applying first principles density functional theory (DFT) methods, different metal fluorides and their surfaces have been characterized. One of the most investigated metal fluorides is AlF<sub>3</sub> in different polymorphs. Its chloride-doped analogon AlCl<sub><i>x</i...

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Bibliographic Details
Published in:Inorganics
Main Authors: Riddhish Pandharkar, Christian Becker, Johannes Horst Budau, Zeinab Kaawar, Beate Paulus
Format: Article
Language:English
Published: MDPI AG 2018-11-01
Subjects:
DFT calculations
metal fluorides
surface energies
AlF<sub>3</sub>
ACF
Wulff plot
Online Access:https://www.mdpi.com/2304-6740/6/4/124

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https://www.mdpi.com/2304-6740/6/4/124

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