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PACS: 68.43.Pq, 68.43.Bc, 68.49.Jk, 71.15.Mb; platinum; deuterium; hydrogen; vibrational states; adsorbed layers; monolayers; ab initio calculations; electron energy loss spectra; surface dynamics; potential energy surfaces
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.
