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Modelling diffusion in large anion binary rock-salt compounds
Neeraj Mishra,
Guy Makov
Department of Materials Engineering
Research output
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Contribution to journal
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Article
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peer-review
2
Scopus citations
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Keyphrases
Sodium Chloride
100%
Anions
100%
Large Anions
100%
Salt Compounds
100%
Interstitial Site
75%
Vacancy Pairs
50%
Schottky
50%
Anion Diffusion
50%
Activation Energy
25%
Electronic Structure
25%
Rock-salt Structure
25%
Experimental Reports
25%
Migration Routes
25%
Migration Energy
25%
Alkali Metals
25%
Cation Vacancies
25%
Triatomic
25%
Single Vacancy
25%
First-principles Method
25%
Alkali Halides
25%
Metal Monochalcogenides
25%
Chemistry
Base
100%
Reaction Activation Energy
33%
Cation
33%
Halide
33%
First Principle
33%
Electronic State
33%