Energetics and Vibrational States for Hydrogen on Pt(111)

S.C. Badescu, P. Salo, T. Ala-Nissila, S.C. Ying, K. Jacobi, Y. Wang, K. Bedurftig, G. Ertl

Research output: Contribution to journalArticleScientificpeer-review

96 Citations (Scopus)
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Abstract

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first-principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68 meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.
Original languageEnglish
Article number136101
Pages (from-to)1-4
JournalPhysical Review Letters
Volume88
Issue number13
DOIs
Publication statusPublished - 2002
MoE publication typeA1 Journal article-refereed

Keywords

  • electron energy loss spectroscopy
  • first-principles calculations
  • hydrogen
  • platinum
  • surface diffusion
  • vibrations of adsorbed molecules

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