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

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2003
Major/Subject
Mcode
Degree programme
Language
en
Pages
205401/1-6
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.
Description
Keywords
hydrogen, solid surfaces, hydrogenation reactions
Other note
Citation
Badescu, S. C. & Jacobi, K. & Wang, Y. & Bedürftig, K. & Ertl, G. & Salo, P. & Ala-Nissilä, Tapio & Ying, S. C. 2003. Vibrational states of a H monolayer on the Pt(111) surface. Physical Review B. Volume 68, Issue 20. P. 205401/1-6. ISSN 1098-0121 (printed). DOI: 10.1103/physrevb.68.205401.