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Trans Tech Publications, Solid State Phenomena, (170), p. 298-301, 2011

DOI: 10.4028/www.scientific.net/ssp.170.298

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Modelling of Mg/Ti and Mg/Nb Thin Films for Hydrogen Storage

Journal article published in 2011 by Konstantin Klyukin, Marina G. Shelyapina ORCID, Daniel Fruchart
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This paper is available in a repository.

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Abstract

Mg/TM thin films are objects of interest as hydrogen storage materials due to their expected interesting thermodynamic and hydrogen sorption kinetic properties. Here we report on the results of ab initio calculation on the stability of Mgn/Ti and Mgn/Nbm thin films.