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

Konstantin Klyukin; Marina G. Shelyapina; D. Fruchart

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

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JOURNAL ARTICLE

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

Konstantin Klyukin Marina G. Shelyapina D. Fruchart

Year: 2011 Journal: Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena Vol: 170 Pages: 298-301 Publisher: Scientific.net

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

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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.

Keywords:

Hydrogen storage Materials science Thin film Hydrogen Sorption Kinetic energy Ab initio Chemical engineering Chemical stability Thermodynamics Physical chemistry Nanotechnology Metallurgy Alloy Organic chemistry Adsorption

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Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

Superconductivity in MgB2 and Alloys

Physical Sciences → Physics and Astronomy → Condensed Matter Physics

Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

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

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