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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



  history
ID: 8360.0, Fritz-Haber-Institut / Molecular Physics
(root 3x root 3)R30 degrees-(K+CO) coadsorption structure on Pt(111): Experiment and theory
Authors:Moré, Sam D.; Seitsonen, Ari P.; Berndt, Werner; Bradshaw, Alexander M.
Language:English
Date of Publication (YYYY-MM-DD):2002-10-15
Title of Journal:Physical Review B
Journal Abbrev.:Phys. Rev. B
Volume:66
Issue / Number:16
Start Page:165424-1
End Page:165424-9
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We report joint experimental and theoretical investigations of the (root3xroot3)R30degrees-(K+CO) coadsorption phase on Pt(111). The studies were performed with low-energy electron diffraction structural analysis and density functional theory calculations based on the generalized gradient approximation. The measured and calculated adsorption geometries agree quantitatively. Both CO and K are found to occupy threefold symmetric hcp hollow sites. The internal C-O bond elongates upon the coadsorption of K with respect to the pure CO/Pt(111) phase, and likewise the K-surface separation increases with respect to the (root3xroot3)R30degrees-K phase on Pt(111).
Free Keywords:GENERALIZED GRADIENT APPROXIMATION; ELECTRON-DIFFRACTION ANALYSIS; COVERAGE DEPENDENCE; ADSORPTION SITES; ORDERED PHASES; CO; POTASSIUM; SYSTEM; NA; PSEUDOPOTENTIALS
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
MPI für Plasmaphysik
External Affiliations:UVSOR, Inst. Mol. Sci., Aichi, Japan,
Univ Roma La Sapienza, Rome, Italy,
Identifiers:URL:http://ojps.aip.org/getabs/servlet/GetabsServlet?p...
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