Abstract
We report joint experimental and theoretical investigations of the (√3×√3)R30°-(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 (√3×√3)R30°-K phase on Pt(111).
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