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

• Authors: V. Petrauskas , E. Tornau
• Languages of publication: 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

EN

68.43.Fg; 68.43.Hn; 68.43.Mn; 64.60.Cn

Discipline

• 68.43.Hn: Structure of assemblies of adsorbates (two- and three-dimensional clustering)
• 68.43.Fg: Adsorbate structure (binding sites, geometry)
• 68.43.Mn: Adsorption kinetics
• 64.60.Cn: Order-disorder transformations(see also 81.30.Hd Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder in materials science; for effects of disorder on superconducting transition temperature, see 74.62.En)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2008
• Volume: 113
• Issue: 3
• Pages: 1075-1078

Dates

published

2008-03

received

2007-08-26

Contributors

author

V. Petrauskas

• Semiconductor Physics Institute, Goštauto 11, LT-01108, Vilnius, Lithuania

author

E. Tornau

• 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)

Identifiers

DOI

10.12693/APhysPolA.113.1075