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2008 | 114 | S | S-71-S-76
Article title

Theoretical Simulations of 0.25 Monolayer Iodine Adsorption on Cu(100)

Content
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EN
Abstracts
EN
Simulations of adsorption 0.25 monolayer of iodine on Cu(100) were performed using a local-orbital minimal basis technique based on density functional theory and compared with plane-wave basis results. It was found that iodine adsorption changes the spacings between surface layers of copper substrate and can cause the reconstruction of this surface to rhombus-like arrangement with a stable threefold hollow adsorption site. The calculated structure of I/Cu(100) is presented together with the simulated scanning tunneling microscopy images of this surface. The obtained results are discussed in comparison with experimental results.
Keywords
EN
Contributors
  • Institute of Experimental Physics, University of Wrocław, pl. Maxa Borna 9, 50-204 Wrocław, Poland
  • Institute of Experimental Physics, University of Wrocław, pl. Maxa Borna 9, 50-204 Wrocław, Poland
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv114ns06kz
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