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2008 | 113 | 3 | 1075-1078
Article title

Simulation of Hydrogen-Induced Reconstruction of Oxygen on Pd(111)

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EN
Abstracts
EN
The oxygen and hydrogen atoms co-adsorption experiment on Pd(111) is modelled using kinetic Monte Carlo method. We consider O-O, H-H, and O-H interactions and several kinetic processes (diffusion, surface and subsurface H-atoms exchange and water-formation reaction) leading to the phase transition (2×2)_O → (√3×√3)_O with increase in H-coverage. We also demonstrate how reverse phase transition (√3×√3)_O → (2×2)_O occurs due to hydrogen dissolution into subsurface in the absence of hydrogen gas. At higher temperature we observe the disappearance of (2×2)_O oxygen islands due to water-formation reaction.
Keywords
Contributors
author
  • Semiconductor Physics Institute, Goštauto 11, LT-01108, Vilnius, Lithuania
author
  • Semiconductor Physics Institute, Goštauto 11, LT-01108, Vilnius, Lithuania
References
  • 1. T. Mitsui, M.K. Rose, E. Fomin, D.F. Ogletree, M. Salmeron, Surf. Sci. 511, 259 (2002);J. Chem. Phys. 117, 5855 (2002)
  • 2. M.K. Rose, A. Borg, J.C. Dunphy, T. Mitsui, D.F. Ogletree, M. Salmeron, Surf. Sci. 561, 69 (2004)
  • 3. E.E. Tornau, V. Petrauskas, G. Zvejnieks, Catalysis Today 116, 62 (2006)
  • 4. T. Engle, H. Kuipers, Surf. Sci. 90, 181 (1979)
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv113n366kz
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