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LEED and DFT investigation on the (2 × 2)-S overlayer on Co(0 0 0 1)
Laboratory of Physics, Helsinki University of Technology.
Laboratory of Physics, Helsinki University of Technology.
Laboratory of Physics, Helsinki University of Technology.
Laboratory of Physics, Helsinki University of Technology.ORCID iD: 0000-0001-7279-6528
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2005 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 599, no 1-3, p. 113-121Article in journal (Refereed) Published
Abstract [en]

The geometric surface structure of a (2 × 2)-S layer formed by adsorption of hydrogen sulfide at 185 K on the Co(0 0 0 1) surface has been determined by low energy electron diffraction (LEED) experiments and density-functional theory (DFT) calculations. The favored atomic configuration consists of sulfur atoms residing at the fcc-hollow sites with S-Co distance of 2.2 ± 0.1 Å. Buckling in the first layer is negligible and the three nearest-neighbor Co atoms below the S atom are symmetrically moved by 0.05 ± 0.09 Å along the surface away from the S atom. The DFT calculations confirm the hollow-site adsorption and give further information on the electronic structure of the system. © 2005 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
2005. Vol. 599, no 1-3, p. 113-121
Keywords [sv]
Adsorption, Cobalt, Density functional calculations, DFT, Low energy electron diffraction (LEED), Morphology, Roughness, Sulfur, Surface structure, Topography
National Category
Building Technologies
Research subject
Steel Structures
Identifiers
URN: urn:nbn:se:ltu:diva-6213DOI: 10.1016/j.susc.2005.09.042Scopus ID: 28544433388Local ID: 468bfc39-889b-4b55-8d96-417a45c7aca8OAI: oai:DiVA.org:ltu-6213DiVA, id: diva2:979090
Note
Upprättat; 2005; 20160222 (andcwi)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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Habermehl-Cwirzen, K.

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