Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface

Nonlinear subsurface effects

K. Kokko, M. Ropo, M. P J Punkkinen, P. Laukkanen, M. Alatalo, L. Vitos, J. Kollár, B. Johansson

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The surface core-level binding-energy shift (SCLS) of Pd at the AgcPd1-c(1 1 1) surface is calculated as a function of bulk concentration of the alloy. The equilibrium volume and the surface concentration profile used in the calculations refer to the 0 K case. The SCLSs are evaluated within the Z + 1 approximation. The results are analysed using the mixing enthalpy of the alloy and the bulk and surface chemical potentials. A relation of the SCLS to the bulk concentration is considered. This relation is shown to be mediated by the surface concentration profile which induces the observed nonlinear behaviour. The results are interpreted using a simple model for the alloy electronic structure.

Original languageEnglish
Pages (from-to)5419-5423
Number of pages5
JournalSurface Science
Volume601
Issue number23
DOIs
Publication statusPublished - Dec 1 2007

Fingerprint

Core levels
shift
Binding energy
binding energy
Chemical potential
profiles
Electronic structure
Enthalpy
enthalpy
electronic structure
approximation

Keywords

  • Alloys
  • Chemical potential
  • Density functional calculation
  • Mixing enthalpy
  • Palladium
  • Silver
  • Surface core-level shift
  • Surface segregation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Kokko, K., Ropo, M., Punkkinen, M. P. J., Laukkanen, P., Alatalo, M., Vitos, L., ... Johansson, B. (2007). Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface: Nonlinear subsurface effects. Surface Science, 601(23), 5419-5423. https://doi.org/10.1016/j.susc.2007.08.032

Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface : Nonlinear subsurface effects. / Kokko, K.; Ropo, M.; Punkkinen, M. P J; Laukkanen, P.; Alatalo, M.; Vitos, L.; Kollár, J.; Johansson, B.

In: Surface Science, Vol. 601, No. 23, 01.12.2007, p. 5419-5423.

Research output: Contribution to journalArticle

Kokko, K, Ropo, M, Punkkinen, MPJ, Laukkanen, P, Alatalo, M, Vitos, L, Kollár, J & Johansson, B 2007, 'Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface: Nonlinear subsurface effects', Surface Science, vol. 601, no. 23, pp. 5419-5423. https://doi.org/10.1016/j.susc.2007.08.032
Kokko K, Ropo M, Punkkinen MPJ, Laukkanen P, Alatalo M, Vitos L et al. Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface: Nonlinear subsurface effects. Surface Science. 2007 Dec 1;601(23):5419-5423. https://doi.org/10.1016/j.susc.2007.08.032
Kokko, K. ; Ropo, M. ; Punkkinen, M. P J ; Laukkanen, P. ; Alatalo, M. ; Vitos, L. ; Kollár, J. ; Johansson, B. / Surface core-level shift of Pd at the AgcPd1-c(1 1 1) surface : Nonlinear subsurface effects. In: Surface Science. 2007 ; Vol. 601, No. 23. pp. 5419-5423.
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