Advanced

Surface composition of clean and oxidized Pd75Ag25(100) from photoelectron spectroscopy and density functional theory calculations

Walle, L. E.; Gronbeck, H.; Fernandes, V. R.; Blomberg, Sara LU ; Farstad, M. H.; Schulte, Karina LU ; Gustafson, Johan LU ; Andersen, Jesper N LU ; Lundgren, Edvin LU and Borg, A. (2012) In Surface Science 606(23-24). p.1777-1782
Abstract
High resolution photoelectron spectroscopy and density functional theory calculations have been used to study the composition of clean and oxidized Pd75Ag25( 100). The results for the clean surface confirm earlier reports of surface segregation by Wouda et al. (1998), where the top most layers are rich in Ag. The Pd 3d core level component from the surface region is observed at higher binding energies than the contribution from the bulk which is found to be a signature of Pd embedded in Ag. Low energy electron diffraction and scanning tunneling microscopy measurements reveal that oxidation of the Pd75Ag25(100) surface results in a (root 5 x root 5)R27 degrees-O structure similar to the one reported for Pd(100). The calculations suggest... (More)
High resolution photoelectron spectroscopy and density functional theory calculations have been used to study the composition of clean and oxidized Pd75Ag25( 100). The results for the clean surface confirm earlier reports of surface segregation by Wouda et al. (1998), where the top most layers are rich in Ag. The Pd 3d core level component from the surface region is observed at higher binding energies than the contribution from the bulk which is found to be a signature of Pd embedded in Ag. Low energy electron diffraction and scanning tunneling microscopy measurements reveal that oxidation of the Pd75Ag25(100) surface results in a (root 5 x root 5)R27 degrees-O structure similar to the one reported for Pd(100). The calculations suggest that the stable structure is a PdO(101) monolayer supported on a (100) surface rich in Ag at the interface to the stoichiometric alloy. The calculated core level shifts for the oxidized surface are in good agreement with the experimental observations. (C) 2012 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
PdAg alloy, Surface oxide, Core level shifts, Pd75Ag25(100), Photoelectron spectroscopy, Density functional theory
in
Surface Science
volume
606
issue
23-24
pages
1777 - 1782
publisher
Elsevier
external identifiers
  • wos:000309318100005
  • scopus:84866361886
ISSN
0039-6028
DOI
10.1016/j.susc.2012.07.006
language
English
LU publication?
yes
id
8bec842b-70b6-40d2-87f5-ecfb002f5577 (old id 3184441)
date added to LUP
2012-12-06 14:18:35
date last changed
2017-11-05 04:08:33
@article{8bec842b-70b6-40d2-87f5-ecfb002f5577,
  abstract     = {High resolution photoelectron spectroscopy and density functional theory calculations have been used to study the composition of clean and oxidized Pd75Ag25( 100). The results for the clean surface confirm earlier reports of surface segregation by Wouda et al. (1998), where the top most layers are rich in Ag. The Pd 3d core level component from the surface region is observed at higher binding energies than the contribution from the bulk which is found to be a signature of Pd embedded in Ag. Low energy electron diffraction and scanning tunneling microscopy measurements reveal that oxidation of the Pd75Ag25(100) surface results in a (root 5 x root 5)R27 degrees-O structure similar to the one reported for Pd(100). The calculations suggest that the stable structure is a PdO(101) monolayer supported on a (100) surface rich in Ag at the interface to the stoichiometric alloy. The calculated core level shifts for the oxidized surface are in good agreement with the experimental observations. (C) 2012 Elsevier B.V. All rights reserved.},
  author       = {Walle, L. E. and Gronbeck, H. and Fernandes, V. R. and Blomberg, Sara and Farstad, M. H. and Schulte, Karina and Gustafson, Johan and Andersen, Jesper N and Lundgren, Edvin and Borg, A.},
  issn         = {0039-6028},
  keyword      = {PdAg alloy,Surface oxide,Core level shifts,Pd75Ag25(100),Photoelectron spectroscopy,Density functional theory},
  language     = {eng},
  number       = {23-24},
  pages        = {1777--1782},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {Surface composition of clean and oxidized Pd75Ag25(100) from photoelectron spectroscopy and density functional theory calculations},
  url          = {http://dx.doi.org/10.1016/j.susc.2012.07.006},
  volume       = {606},
  year         = {2012},
}