Abstract
We report joint experimental and theoretical investigations of the 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 phase on Pt(111).
- Received 30 November 2001
DOI:https://doi.org/10.1103/PhysRevB.66.165424
©2002 American Physical Society
