Energetics and Vibrational States for Hydrogen on Pt(111)
Statistical Mechanics
2009-11-07 v3
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 68meV 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.
Keywords
Cite
@article{arxiv.cond-mat/0112074,
title = {Energetics and Vibrational States for Hydrogen on Pt(111)},
author = {S. C. Badescu and P. Salo and T. Ala-Nissila and S. C. Ying and K. Jacobi and Y. Wang and K. Bedurftig and G. Ertl},
journal= {arXiv preprint arXiv:cond-mat/0112074},
year = {2009}
}
Comments
In press at Phys. Rev. Lett - to appear in April 2002