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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 ISSN 0039-6028.
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Official URL: http://dx.doi.org/10.1016/j.susc.2008.01.033
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 | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Divisions: | Faculty of Science, Engineering and Medicine > 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: |
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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) |
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