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The local adsorption geometry of benzenethiolate on Cu(1 0 0)

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Allegretti, F., Bussolotti, F., Woodruff, D. P., Dhanak, Vin, Beccari, M., Di Castro, M., Betti, M. G. and Mariani, C.. (2008) The local adsorption geometry of benzenethiolate on Cu(1 0 0). Surface Science, Vol.602 (No.14). pp. 2453-2462. ISSN 0039-6028

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Official URL: http://dx.doi.org/10.1016/j.susc.2008.05.032

Abstract

The local adsorption geometry of benzenethiolate in the ordered c(2 × 6) phase on Cu(1 0 0) has been investigated by a combination of S K-edge near-edge X-ray absorption fine structure (NEXAFS), normal incidence X-ray standing waves (NIXSW) and S 1s scanned-energy mode photoelectron diffraction (PhD). NEXAFS and PhD show that the molecular plane is tilted from the surface normal by 20 ± 15°, while NIXSW clearly identifies the S head-group as occupying the four-fold coordinated hollow sites. PhD shows the S atoms lies 1.34 ± 0.04 Å above the outermost Cu atomic layer, leading to a Cu–S bondlength of 2.25 ± 0.02 Å. The combination of the PhD and NIXSW results shows the Cu surface layer has an outward relaxation of 0.15 ± 0.06 Å. Possible origins for this large adsorbate-induced relaxation are discussed.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Surfaces (Physics) -- Research, Photoelectron spectroscopy, X-rays -- Diffraction, X-ray absorption near edge structure, Chemisorption -- Research
Journal or Publication Title:	Surface Science
Publisher:	Elsevier BV
ISSN:	0039-6028
Official Date:	July 2008
Volume:	Vol.602
Number:	No.14
Page Range:	pp. 2453-2462
Identification Number:	10.1016/j.susc.2008.05.032
Status:	Peer Reviewed
Access rights to Published version:	Open Access
Funder:	Council for the Central Laboratory of the Research Councils (Great Britain) (CCLRC)
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URI:	http://wrap.warwick.ac.uk/id/eprint/2975