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Hydrogen associative desorption from Ru(1010)

Author

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  • N. V. Petrova
  • I. N. Yakovkin

Abstract

The associative desorption of hydrogen from the Ru(10 $\bar{1}$ 0) surface has been studied on the atomic level by means of density-functional calculations with various exchange-correlation functionals and kinetic Monte Carlo simulations. The simulations reproduce forming structures of the layers and main features of TPD spectra for a wide range of hydrogen coverages. In particular, it has been shown that the decrease of binding energies with coverage due to lateral repulsion is correlated with the appearance of low-temperature peaks in the spectra. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2008

Suggested Citation

  • N. V. Petrova & I. N. Yakovkin, 2008. "Hydrogen associative desorption from Ru(1010)," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 63(1), pages 17-24, May.
    • Handle: RePEc:spr:eurphb:v:63:y:2008:i:1:p:17-24
    DOI: 10.1140/epjb/e2008-00217-7
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