Surface composition of clean and oxidized Pd75Ag25(100) from photoelectron spectroscopy and density functional theory calculations
(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:
https://lup.lub.lu.se/record/3184441
- author
- 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.
- organization
- publishing date
- 2012
- 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
- 2016-04-01 14:18:38
- date last changed
- 2022-04-06 17:55:46
@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}}, keywords = {{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}}, doi = {{10.1016/j.susc.2012.07.006}}, volume = {{606}}, year = {{2012}}, }