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

Article

关键词: BRILLOUIN ZONE;    SPECIAL POINTS;    HYDROGEN;    ADSORPTION;    PSEUDOPOTENTIALS;    PLATINUM;    SPECTROSCOPY;    HYDRIDES;    IRIDIUM;   

DOI  :  10.1103/PhysRevB.68.205401

来源: SCIE

【 摘 要 】

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.

【 授权许可】

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