UNSPECIFIED. (1994) THE GEOMETRIC STRUCTURE OF THE SURFACE METHOXY SPECIES ON CU(111). Surface Science, 304 (1-2). pp. 74-84. ISSN 0039-6028

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Abstract

The adsorption geometry of the surface methoxy species (-OCH3) on Cu(111) has been determined quantitatively using scanned energy mode photoelectron diffraction in a two-step approach. First, using direct methods it was established that the fragment adsorbs via the oxygen atom at the ''fcc'' three-fold adsorption site. Subsequently, the structural parameters were refined by a search in multi-parameter space using diffraction spectra obtained in different emission geometries. The oxygen atom is found to be situated 1.32(+/-0.05) angstrom above the three nearest-neighbour copper atoms with the O-C axis essentially perpendicular to the surface. The O-C distance is 1.42(-0.03/+0.10) angstrom; a relaxation as well as a rumple of the outermost Cu layer occur.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry Q Science > QC Physics
Journal or Publication Title:	Surface Science
Publisher:	ELSEVIER SCIENCE BV
ISSN:	0039-6028
Date:	1 March 1994
Volume:	304
Number:	1-2
Number of Pages:	11
Page Range:	pp. 74-84
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/20791

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