Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5425081 | Surface Science | 2008 | 8 Pages |
Abstract
We have investigated the oxygen induced structures of the Pd(1 1 0) surface in the pressure range of 10-5-10-3 mbar of oxygen, at a sample temperature of around 300 °C. These structures, denoted as “(7Ã3)” and “(9Ã3)”, are studied in detail by the use of a combination of low-energy electron diffraction, scanning tunneling microscopy, high-resolution core level spectroscopy, and ab-initio simulations. Based on our data a model is proposed for these structures containing segments of Pd atoms in the [11¯0] direction, in which the Pd rows are decorated by O atoms in a zig-zag pattern. The segments are periodically separated by displaced Pd atoms. Density functional theory calculations show that the displacements reduce the oxygen induced stress significantly, as compared to a structure with no displacements. The calculations also suggest that the new structures are stabilized by domain formation.
Keywords
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
R. Westerström, C.J. Weststrate, A. Resta, A. Mikkelsen, J. Schnadt, J.N. Andersen, E. Lundgren, M. Schmid, N. Seriani, J. Harl, F. Mittendorfer, G. Kresse,