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Stressing Pd atoms: Initial oxidation of the Pd(110) surface

Westerström, Rasmus LU ; Weststrate, C. J.; Resta, Andrea LU ; Mikkelsen, Anders LU ; Schnadt, Joachim LU ; Andersen, Jesper N LU ; Lundgren, Edvin LU ; Schmid, M.; Seriani, N. and Harl, J., et al. (2008) In Surface Science 602(14). p.2440-2447
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 degrees C. These structures, denoted as "(7 x root 3)" and "(9 x root 3)", 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 [1 (1) over bar0] 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... (More)
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 degrees C. These structures, denoted as "(7 x root 3)" and "(9 x root 3)", 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 [1 (1) over bar0] 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. (C) 2008 Elsevier B.V. All rights reserved. (Less)
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keywords
surface stress, scanning tunneling microscopy, low-energy electron diffraction (LEED), density functional calculations, soft X-ray photoelectron spectroscopy, palladium, oxygen, low index single crystal surfaces
in
Surface Science
volume
602
issue
14
pages
2440 - 2447
publisher
Elsevier
external identifiers
  • wos:000259062200023
  • scopus:48149109257
ISSN
0039-6028
DOI
10.1016/j.susc.2008.05.033
language
English
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yes
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392b8d3b-4937-40e4-b3ce-c0517605c541 (old id 1246789)
date added to LUP
2008-11-17 15:33:17
date last changed
2017-07-30 04:10:32
@article{392b8d3b-4937-40e4-b3ce-c0517605c541,
  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 degrees C. These structures, denoted as "(7 x root 3)" and "(9 x root 3)", 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 [1 (1) over bar0] 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. (C) 2008 Elsevier B.V. All rights reserved.},
  author       = {Westerström, Rasmus and Weststrate, C. J. and Resta, Andrea and Mikkelsen, Anders and Schnadt, Joachim and Andersen, Jesper N and Lundgren, Edvin and Schmid, M. and Seriani, N. and Harl, J. and Mittendorfer, F. and Kresse, G.},
  issn         = {0039-6028},
  keyword      = {surface stress,scanning tunneling microscopy,low-energy electron diffraction (LEED),density functional calculations,soft X-ray photoelectron spectroscopy,palladium,oxygen,low index single crystal surfaces},
  language     = {eng},
  number       = {14},
  pages        = {2440--2447},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {Stressing Pd atoms: Initial oxidation of the Pd(110) surface},
  url          = {http://dx.doi.org/10.1016/j.susc.2008.05.033},
  volume       = {602},
  year         = {2008},
}