Hydrogen atom quantum migration on platinum

Tanglaw Roman, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai

Research output: Contribution to journalReview articlepeer-review

14 Citations (Scopus)

Abstract

We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model.

Original languageEnglish
Pages (from-to)619-623
Number of pages5
Journale-Journal of Surface Science and Nanotechnology
Volume4
DOIs
Publication statusPublished - 3 Oct 2006
Externally publishedYes

Keywords

  • Ab initio quantum chemical methods and calculations
  • Adsorption kinetics
  • Diffusion and migration
  • Platinum

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