Interpretation of a co-adsorbate-induced tilt: (2×2)(CO + O) on Ru(001)

R. L.C. Wang; H. J. Kreuzer; D. Menzel

doi:10.1524/zpch.1997.202.part_1_2.205

Interpretation of a co-adsorbate-induced tilt: (2×2)(CO + O) on Ru(001)

R. L.C. Wang, H. J. Kreuzer, D. Menzel

Chair of Experimental Physics

Dalhousie University

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The tilting of CO in the (2×2)(CO + O) structure on Ru(001) is investigated in a cluster model based on density functional theory. It is shown that the charge on the co-adsorbed oxygen creates a local electrostatic field at the adsorption site of CO which modifies the metal-carbon and the C-O bonds. Thus the tilt is another example of field-induced chemistry.

Original language	English
Pages (from-to)	205-211
Number of pages	7
Journal	Zeitschrift fur Physikalische Chemie
Volume	202
Issue number	1-2
DOIs	https://doi.org/10.1524/zpch.1997.202.part_1_2.205
State	Published - 1997

Keywords

Carbon monoxide
Chemisorption
Density functional calculations

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10.1524/zpch.1997.202.part_1_2.205

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KW - Chemisorption

KW - Density functional calculations

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ER -

Interpretation of a co-adsorbate-induced tilt: (2×2)(CO + O) on Ru(001)

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