Mechanism of associative oxygen desorption from Pt(111) surface

N. V. Petrova and I. N. Yakovkin ()

The European Physical Journal B: Condensed Matter and Complex Systems, 2007, vol. 58, issue 3, 257-262

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

Keywords: 68.43.Mn Adsorption/desorption kinetics; 68.43.-h Chemisorption/physisorption: adsorbates on surfaces; 68.35.Bs Structure of clean surfaces (reconstruction); 71.15.-m Methods of electronic structure calculations (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1140/epjb/e2007-00234-0

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