Oxygen induced segregation of copper to Ag/Cu(1 0 0) surface

Research output: Contribution to journalArticleScientificpeer-review


Research units

  • Lappeenranta University of Technology
  • University of Oulu


We have studied oxygen induced segregation of copper on Ag/Cu(1 0 0) surface using DFT methods. We calculated the energetics for the ideal and reconstructed copper surfaces having a layer of silver in different depths of the slab with different oxygen coverages. With no oxygen present, the preferred location of silver atoms was the topmost layer. At the coverage 0.5 ML and higher our results support the experimental observation of Hirsimäki et al. that copper replaces silver in the topmost layer of the surface when the surface is in contact with oxygen [M. Hirsimäki, M. Lampimäki, K. Lahtonen, I. Chorkendorff, M. Valden, Surf. Sci. 583 (2005) 157].


Original languageEnglish
Pages (from-to)4103-4107
Number of pages5
JournalSurface Science
Issue number18
Publication statusPublished - 15 Sep 2006
MoE publication typeA1 Journal article-refereed

    Research areas

  • Copper, Density functional calculations, Metal alloys, Oxidation, Oxygen, Silver, Surface alloy, Surface segregation

ID: 5461803