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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Department of Applied Physics

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en

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Physical Review B, Volume 68, issue 20, pp. 1-6

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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DOI

10.1103/PhysRevB.68.205401

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

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https://urn.fi/URN:NBN:fi:aalto-201805222702

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[article-cris] Perustieteiden korkeakoulu / SCI