ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures

E. Lundgren, J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, M. Todorova, J. Rogal, K. Reuter, M. Scheffler.

Physical Review Letters, 92, 046101, (2004)

Abstract
The oxidation of the Pd(100) surface at oxygen pressures in the 106 to 103 mbar range and temperatures up to 1000 K has been studied in situ by surface x-ray diffraction (SXRD). The results provide direct structural information on the phases present in the surface region and on the kinetics of the oxide formation. Depending on the (T,p) environmental conditions, we observe either a thin (√5×√5)R27° surface oxide or the growth of a rough, poorly ordered bulk oxide film of PdO predominantly with (001) orientation. By either comparison to the surface phase diagram from first-principles atomistic thermodynamics or by explicit time-resolved measurements we identify a strong kinetic hindrance to the bulk oxide formation even at temperatures as high as 675 K.


DOI: 10.1103/PhysRevLett.92.046101
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