DFT investigation on adsorption of di–, tri– and tetra–atomic gases on Sc–doped ZnO sodalite like cage for gas sensing purpose

Published 2018 View Full Article

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Title
DFT investigation on adsorption of di–, tri– and tetra–atomic gases on Sc–doped ZnO sodalite like cage for gas sensing purpose
Authors
Keywords
Sc–and non–doped ZnO sodalite like cage, Small gases adsorption, DFT, NBO charge
Journal
MATERIALS CHEMISTRY AND PHYSICS
Volume 217, Issue -, Pages 63-73
Publisher
Elsevier BV
Online
2018-06-26
DOI
10.1016/j.matchemphys.2018.06.051

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