(root 3x root 3)R30 degrees-(K+CO) coadsorption structure on Pt(111): 
Experiment and theory

More, S.; Seitsonen, A. P.; Berndt, W.; Bradshaw, A. M.

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(root 3x root 3)R30 degrees-(K+CO) coadsorption structure on Pt(111): Experiment and theory

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Seitsonen, A. P.
Max Planck Institute for Plasma Physics, Max Planck Society;

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Bradshaw, A. M.
Office of the Director (DI), Max Planck Institute for Plasma Physics, Max Planck Society;

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Citation

More, S., Seitsonen, A. P., Berndt, W., & Bradshaw, A. M. (2002). (root 3x root 3)R30 degrees-(K+CO) coadsorption structure on Pt(111): Experiment and theory. Physical Review B, 66(16): 165424.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0027-422E-7

Abstract

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).