Iodine adsorption on Ni(111): STM and DFT study

Iodine adsorption on Ni(111): STM and DFT study

Iodine adsorption on the Ni(111) surface has been studied in ultra-high vacuum conditions with scanning tunneling microscopy (STM), Auger electron spectroscopy (AES), low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. At the first stage of adsorption, iodine was...

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Veröffentlicht in:Surface science 2016-09, Vol.651, p.112-119
Hauptverfasser: Komarov, N.S., Pavlova, T.V., Andryushechkin, B.V.
Format: Artikel
Sprache:eng
Schlagworte:
Adsorption
Density functional theory
Iodides
Iodine
Mathematical analysis
Nickel
Scanning tunneling microscopy
Surface chemistry
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Zusammenfassung:Iodine adsorption on the Ni(111) surface has been studied in ultra-high vacuum conditions with scanning tunneling microscopy (STM), Auger electron spectroscopy (AES), low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. At the first stage of adsorption, iodine was found to form a simple commensurate 3×3R30∘ structure at the coverage of 0.33 ML. According to DFT calculations, all iodine atoms in the 3×3R30∘ structure occupy fcc hollow sites. Increase of the coverage in the range of (0.333 ML
ISSN:0039-6028
1879-2758
DOI:10.1016/j.susc.2016.04.006