Vibrational states of H monolayer on the Pt(111) surface

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

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Abstract

We present high-resolution electron energy-loss data and theoretical modeling for the vibrational properties of an atomic monolayer of H (D) on the Pt(111) surface. Experimentally we find three loss peaks, in contrast with two peaks visible in the low-coverage case. A three-dimensional adiabatic potential-energy surface at full coverage of hydrogen is obtained through first-principles calculations. When the zero-point energy effects are included, the minimum energy adsorption site is found to be the fcc site just as in the low-coverage case. Vibrational band states for motion in this potential-energy surface are computed and the excited states associated with the observed loss peaks identified.
Original languageEnglish
Article number205401
Pages (from-to)1-6
JournalPhysical Review B
Volume68
Issue number20
DOIs
Publication statusPublished - 2003
MoE publication typeA1 Journal article-refereed

Keywords

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

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