de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Impressum Kontakt Einloggen
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Structure of the Au/Pd(100) Alloy Surface

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons32634

Boscoboinik,  Anibal
Department of Chemistry and Laboratory for Surface Studies, University of Wisconsin—Milwaukee;
Chemical Physics, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Garvey, M., Boscoboinik, A., Burkholder, L., Walker, J., Plaisance, C., Neurock, M., et al. (2012). Structure of the Au/Pd(100) Alloy Surface. Journal of Physical Chemistry C, 116(7), 4692-4697. doi:10.1021/jp2107445.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0010-50F6-F
Zusammenfassung
The distribution of gold atoms on the surface of a Au/Pd(100) alloy with various gold coverages was explored using density functional theory (DFT) calculations and measurements of the low-energy electron diffraction (LEED) patterns. DFT calculation revealed the presence of first-, second-, and third-neighbor interactions. This contrasts the behavior of Au/Pd(111) alloys, where there were only nearest-neighbor interactions between the surface gold and palladium atoms. The presence of longer-range interactions was confirmed by LEED, which showed c(2 × 2) structures for palladium coverages between 0.5 and ~0.75 monolayers (ML) and a (3 × 3) pattern between 0.5 and ~0.85 ML. The surface structure was simulated using first-, second-, and third-neighbor interactions using Monte Carlo methods and was successfully able to reproduce the experimentally observed LEED patterns. The simulations were then used to calculate the variation in coverage of bridge-bonded carbon monoxide on the Au/Pd(100) alloy as a function of alloy composition, which also agreed well with experiment.