Vibrational linewidth of CO adsorbed on Pt(111)

doi:10.1016/0039-6028(95)00515-3

Surface Science

Volume 336, Issues 1–2, 1 August 1995, Pages 27-36

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Abstract

We show that vibrational spectra of molecules chemisorbed on metal surfaces can be affected by anharmonicity much more than usually estimated if various vibrational coordinates are coupled by non-diagonal terms. The strong coverage dependence of the linewidth of the adsorbate-metal vibrations of CO adsorbed on Pt(111) can be attributed to the multiphonon decay, enhanced by a strong coupling of the adsorbate motion to the in-plane displacement of the surrounding surface atoms.

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Cited by (6)

Adsorbate-induced substrate relaxation and the adsorbate-adsorbate interaction
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Citation Excerpt :
The interaction is weaker in other cases (hollow sites, different rows) and occasionally is weakly attractive. In Refs. [18,19], we have used similar models to show that the coupling of the adsorbate–substrate distance with the in-plane displacement of surrounding surface atoms can be important in the multiphonon decay of adsorbate vibrations. In Ref. [19], we have also calculated the resulting effective adsorbate–adsorbate interaction.
We formulate the theory of the relaxation of the substrate lattice induced by a chemisorbed molecule, using the quadratic expansion of the potential energy of a free surface. We assume that the adsorbate introduces local perturbations around the adsorption site and calculate the relaxation of the surrounding substrate atoms, the induced surface stress and the relaxation energy. When two adsorbates occupy nearby sites, the relaxation is incomplete, leading to an effective adsorbate–adsorbate interaction. We show that the interaction energy has a non-monotonic dependence upon the adsorbate–adsorbate separation, characteristic of each low-index surface. Using simple models of the substrate lattice potential, it is possible to deduce the strength of the perturbation. Good agreement is obtained with experimental data on the induced stress and the adsorbate–adsorbate interaction of CO chemisorbed on several closely packed metal surfaces.
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We show that the observed repulsive interaction betwen CO molecules on the Pt(111) surface can be explained by the coupling of the Pt–CO separation with Pt–Pt coordinates in the substrate. The observed long range of the interaction and the non-monotonic distance dependence are reproduced. The magnitude of the multiphonon decay of the Pt–CO vibration calculated in this model is also in agreement with experiment.
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¹: Permanent address: Rudjer Bos̆ković Institute, P.O. Box 1016, 41001 Zagreb, Croatia.

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Surface scienceVibrational linewidth of CO adsorbed on Pt(111)

Abstract

J. Electron Spectrosc. Relat. Phenom.

Surf. Sci.

Surf. Sci.

Surf. Sci.

Chem. Phys. Lett.

Surf. Sci.

J. Electron Spectrosc. Relat. Phenom.

Surf. Sci.

Phys. Rev. B

Surface science
Vibrational linewidth of CO adsorbed on Pt(111)