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

MPS-Authors
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Jacobi,  Karl
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Wang,  Yuemin
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Bedürftig,  Kolja
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21498

Ertl,  Gerhard
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Fulltext (public)

PhysRevB.68.205401.pdf
(Publisher version), 912KB

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Citation

Badescu, S. C., Jacobi, K., Wang, Y., Bedürftig, K., Ertl, G., Salo, P., et al. (2003). Vibrational states of a H monolayer on the Pt(111) surface. Physical Review B, 68(20), 205401-1-205401-6. doi:10.1103/PhysRevB.68.205401.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0011-0ED8-F
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.