English, Article edition: HYDROGEN ADSORPTION AND DIFFUSION ON A Pt(111) CLUSTER J. M. MARCHETTI; E. GONZÃLEZ; P. JASEN; ...

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Bookmark: http://trove.nla.gov.au/version/85185
Physical Description
  • article
Language
  • English

Edition details

Title
  • HYDROGEN ADSORPTION AND DIFFUSION ON A Pt(111) CLUSTER
Author
  • J. M. MARCHETTI
  • E. GONZÃLEZ
  • P. JASEN
  • G. BRIZUELA
  • A. JUAN
Physical Description
  • article
Notes
  • The interaction of hydrogen with a platinum (111) cluster using the atom superposition and electron delocalizationâhigher binding ASED-TB quantum calculation method was studied. The metal surface was represented by a Pt cluster of seven layers. The effect of hydrogen on this metal substrate was studied by the analysis of density of states and crystal orbital overlap populations curves. The energy surface plots allow us to find a possible diffusion path through the cluster from one side to the other. The PtâPt metal bond is weakened during H adsorption and diffusion. The main components in the PtâH bond are the Pt 6s (31%), 6p (26%), and 5 dxz (16%) orbitals.
  • Hydrogen, surface, platinum
  • RePEc:wsi:srlxxx:v:15:y:2008:i:03:p:319-327
Language
  • English
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