Absorption of hydrogen in Mg lattice: Report

  • Bent Erik Sørensen

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Abstract

Metal hydrides are under study as possible candidates for small-scale hydrogen storage, e.g. in connection with building-integrated fuel cells. I present a quantum chemical model calculation of the potential energy surface allowing hydrogen to enter a magnesium lattice and occupy interstitial sites, by use of a density functional method with periodic boundary conditions
Original languageEnglish
PublisherRoskilde Universitet
Number of pages11
Publication statusPublished - 4 Dec 2004

Keywords

  • hydrogen storage
  • density functional theory

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