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The local structure of OH species on the V2O3(0001) surface : a scanned-energy mode photoelectron diffraction study

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Kroeger, E. A., Sayago, D. I., Allegretti, F., Knight, M. J., Polcik, M., Unterberger, W. (Werner), Lerotholi, T. J., Hogan, K. A., Lamont, C. L. A., Cavalleri, M., Hermann, K. and Woodruff, D. P. (2008) The local structure of OH species on the V2O3(0001) surface : a scanned-energy mode photoelectron diffraction study. Surface Science, Vol.602 (No.6). pp. 1267-1279. doi:10.1016/j.susc.2008.01.033

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Official URL: http://dx.doi.org/10.1016/j.susc.2008.01.033

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Abstract

Scanned-energy mode photoelectron diffraction (PhD), using O Is photoemission, together with multiple-scattering simulations, have been used to investigate the structure of the hydroxyl species, OH, adsorbed on a V2O3(0001) surface. Surface OH species were obtained by two alternative methods;, reaction with molecular water and exposure to atomic H resulted in closely similar PhD spectra. Both qualitative assessment and the results of multiple-scattering calculations are consistent with a model in which only the O atoms of outermost layer of the oxide surface are hydroxylated. These results specifically exclude significant coverage of OH species atop the outermost V atoms, i.e. in vanadyl O atom sites. Ab initio density-functional theory cluster calculations provide partial rationalisation of this result, which is discussed the context of the general understanding of this system. (c) 2008 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Q Science > QC Physics
Divisions: Faculty of Science > Physics
Library of Congress Subject Headings (LCSH): Vanadium oxide, Hydroxyl group, Diffraction
Journal or Publication Title: Surface Science
Publisher: Elsevier Science BV
ISSN: 0039-6028
Official Date: 15 March 2008
Dates:
DateEvent
15 March 2008Published
Volume: Vol.602
Number: No.6
Number of Pages: 13
Page Range: pp. 1267-1279
DOI: 10.1016/j.susc.2008.01.033
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Deutsche Forschungsgemeinschaft (DFG), Engineering and Physical Sciences Research Council (EPSRC)

Data sourced from Thomson Reuters' Web of Knowledge

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