Kreikemeyer-Lorenzo, D., Unterberger, W., Duncan, David A., Bradley, M. K. (Matthew K.), Lerotholi, T. J., Robinson, Jim, Dr. and Woodruff, D. P.. (2011) Face-dependent bond lengths in molecular chemisorption : the formate species on Cu(111) and Cu(110). Physical Review Letters, Vol.107 (No.4). Article 046102 . ISSN 0031-9007

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Abstract

Many previous structural studies of molecular adsorbates on metal surfaces indicate that the local coordination and bonding is closely similar to that in organometallic compounds, implying that the metallic substrate has no significant influence. Here we show that such an influence is detectable for one model system, namely, the formate species, HCOO, adsorbed on the atomically rough and smooth (110) and (111) surfaces of Cu, leading to a statistically significant difference (0.09 +/- 0.05 +/- angstrom) in the Cu-O chemisorption bond length. The effect is reproduced in density functional theory calculations.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Chemisorption, X-ray photoelectron spectroscopy, Copper -- Absorption and adsorption, Copper -- Surfaces
Journal or Publication Title:	Physical Review Letters
Publisher:	American Physical Society
ISSN:	0031-9007
Date:	2011
Volume:	Vol.107
Number:	No.4
Page Range:	Article 046102
Identification Number:	10.1103/PhysRevLett.107.046102
Status:	Peer Reviewed
Publication Status:	Published
Funder:	Engineering and Physical Sciences Research Council (EPSRC)
URI:	http://wrap.warwick.ac.uk/id/eprint/38666

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