| 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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