Energetics and Vibrational States for Hydrogen on Pt(111)

Ş. C. Bădescu, P. Salo, T. Ala-Nissila, S. C. Ying, K. Jacobi, Y. Wang, K. Bedürftig, and G. Ertl
Phys. Rev. Lett. 88, 136101 – Published 14 March 2002
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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.

  • Received 29 September 2001

DOI:https://doi.org/10.1103/PhysRevLett.88.136101

©2002 American Physical Society

Authors & Affiliations

Ş. C. Bădescu1,2, P. Salo1, T. Ala-Nissila1,2, S. C. Ying2, K. Jacobi3, Y. Wang3, K. Bedürftig3, and G. Ertl3

  • 1Helsinki Institute of Physics and Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, FIN-02015 HUT, Espoo, Finland
  • 2Department of Physics, Brown University, Providence, Rhode Island 02912-1843
  • 3Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

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Vol. 88, Iss. 13 — 1 April 2002

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