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

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2003
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Mcode
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Language
en
Pages
1-6
Series
Physical Review B, Volume 68, issue 20
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.
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Keywords
first-principles calculations, high-resolution electron energy-loss spectroscopy, hydrogen, platinum, surface diffusion, vibrations of adsorbed molecules
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Citation
Badescu , S C , Jacobi , K , Wang , Y , Bedurftig , K , Ertl , G , Salo , P , Ala-Nissila , T & Ying , S C 2003 , ' Vibrational states of H monolayer on the Pt(111) surface ' , Physical Review B , vol. 68 , no. 20 , 205401 , pp. 1-6 . https://doi.org/10.1103/PhysRevB.68.205401