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Mechanism of associative oxygen desorption from Pt(111) surface

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  • N. V. Petrova
  • I. N. Yakovkin

Abstract

Mechanism of the associative desorption of oxygen from the Pt(111) surface has been studied on atomic level by means of DFT/GGA calculations and kinetic Monte Carlo simulations. It has been found that two oxygen adatoms can occur, with sufficient probability, in neighboring on-top sites, which is essential for formation and subsequent evaporation of the oxygen molecule. Monte Carlo simulations have demonstrated effectiveness of this channel for O 2 formation on Pt(111) and strongly support the suggested model of associative desorption from transition metal surfaces. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Suggested Citation

  • N. V. Petrova & I. N. Yakovkin, 2007. "Mechanism of associative oxygen desorption from Pt(111) surface," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 58(3), pages 257-262, August.
    • Handle: RePEc:spr:eurphb:v:58:y:2007:i:3:p:257-262
    DOI: 10.1140/epjb/e2007-00234-0
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