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          Institute: Fritz-Haber-Institut     Collection: Theory     Display Documents



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ID: 498952.0, Fritz-Haber-Institut / Theory
Oxygen adsorption on stepped Pd(100) surfaces
Authors:Li, F.; Allegretti, F.; Surnev, S.; Netzer, F. P.; Zhang, Y.; Zhang, W.-B.; Reuter, Karsten
Language:English
Date of Publication (YYYY-MM-DD):2010
Title of Journal:Surface Science
Journal Abbrev.:Surf. Sci.
Volume:604
Start Page:1813
End Page:1819
Copyright:2010 Elsevier B.V. All rights reserved
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We use scanning tunneling microscopy (STM) and high-resolution core-level spectroscopy (XPS)
measurements to study the initial oxidation of vicinal Pd(100) surfaces exhibiting close-packed (111)
steps. The XPS data analysis is supported by detailed surface-core level shift calculations based on densityfunctional
theory. Both STM images and the XPS spectra are found to be perfectly consistent with a
characteristic zigzag O decoration of the Pd steps predicted by a preceding cluster-expansion based
theoretical study [Y. Zhang and K. Reuter, Chem. Phys. Lett. 465, 303 (2008)]. Continued oxygen uptake leads
to the additional stabilization of a p(2×2)-O overlayer on the Pd(100) terraces, and ultimately to step
bunching with the resulting large Pd(100) terraces covered by the PdO(101) surface oxide.
External Publication Status:published
Document Type:Article
Communicated by:Matthias Scheffler
Affiliations:Fritz-Haber-Institut/Theory
External Affiliations:Institute of Physics, Surface and Interface Physics, Karl-Franzens University Graz, A-8010 Graz, Austria

Technische Universität München, Lichtenbergstr. 4, D-85747 Garching, Germany
Identifiers:DOI:10.1016/j.susc.2010.07.012
URL:http://www.fhi-berlin.mpg.de/th/ [For a reprint please contact THsecretary@fhi-berlin.mpg.de]
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