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The (√7 × √7)R19.1°-C6H6 adsorption structure on Co{0001}: A combined tensor LEED and DFT study
Laboratory of Electronics Materials Technology, Lappeenranta University of Technology, Institute of Physics, Tampere University of Technology.
Institute of Physics, Tampere 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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2004 (engelsk)Inngår i: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 572, nr 1, s. 1-10Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The geometric structure of a Co{0001}-(√7 × √7)R19.1°-C6H6 surface formed by adsorption of benzene to the saturation coverage at 170 K has been determined by low energy electron diffraction (LEED). The favored model consists of a flat laying, nearly undisturbed benzene molecule, with the hydrogen-carbon bonds bent away from the substrate by 0.3 ± 0.2 Å. The carbon ring lies at a hcp-site with the two parallel C-C bonds aligned with [1̄100] direction. Buckling between the inequivalent carbon atoms in the molecular ring is within the experimental uncertainty (0.01 ± 0.11 Å). The experimental results are supported by density functional calculations

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2004. Vol. 572, nr 1, s. 1-10
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URN: urn:nbn:se:ltu:diva-8999DOI: 10.1016/j.susc.2004.08.017Lokal ID: 78e47628-ce47-4ec3-9519-a6e996a96123OAI: oai:DiVA.org:ltu-8999DiVA, id: diva2:981937
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Upprättat; 2004; 20160516 (andbra)Tilgjengelig fra: 2016-09-29 Laget: 2016-09-29 Sist oppdatert: 2017-11-24bibliografisk kontrollert

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