Search: WFRF:(Habermehl Cwirzen K.)
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LEED and DFT invest...
LEED and DFT investigation on the (2 × 2)-S overlayer on Co(0 0 0 1)
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- Lahtinen, J. (author)
- Laboratory of Physics, Helsinki University of Technology
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- Kantola, P. (author)
- Laboratory of Physics, Helsinki University of Technology
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- Jaatinen, S. (author)
- Laboratory of Physics, Helsinki University of Technology
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- Habermehl-Cwirzen, K. (author)
- Laboratory of Physics, Helsinki University of Technology
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- Salo, P. (author)
- Laboratory of Physics, Helsinki University of Technology
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- Vuorinen, J. (author)
- Institute of Physics, Tampere University of Technology
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- Lindroos, M. (author)
- Institute of Physics, Tampere University of Technology
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- Pussi, K. (author)
- Laboratory of Electronics Materials Technology, Lappeenranta University of Technology
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- Seitsonen, A. P. (author)
- Institute of Mineralogy and Condensed Matter Physics, CNRS and University of Pierre and Marie Curie
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(creator_code:org_t)
- Elsevier BV, 2005
- 2005
- English.
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In: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 599:1-3, s. 113-121
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Samhällsbyggnadsteknik -- Husbyggnad (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Civil Engineering -- Building Technologies (hsv//eng)
Keyword
- Adsorption
- Cobalt
- Density functional calculations
- DFT
- Low energy electron diffraction (LEED)
- Morphology
- Roughness
- Sulfur
- Surface structure
- Topography
- Stålbyggnad
- Steel Structures
Publication and Content Type
- ref (subject category)
- art (subject category)
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