Kröger, E. A., Sayago, D. I., Allegretti, F., Knight, M. J., Polcik, M., Unterberger, W., Lerotholi, T. J., Hogan, K. A., Lamont, C. L. A. and Woodruff, D. P.. (2007) The structure of the V2O3(0001) surface : a scanned-energy mode photoelectron diffraction study. Surface Science, Vol.601 (No.16). pp. 3350-3360. ISSN 0039-6028

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Abstract

Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction methods. However, the PhD investigation fails to provide definitive evidence for the presence or absence of surface vanadyl (V=O) species associated with atop O atoms on the surface layer of V atoms. Specifically, the best-fit structure does not include these vanadyl species, although an alternative model with similar relaxations but including vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit structure.

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 -- Surfaces, Photoelectrons
Journal or Publication Title:	Surface Science
Publisher:	Elsevier BV
ISSN:	0039-6028
Date:	15 August 2007
Volume:	Vol.601
Number:	No.16
Page Range:	pp. 3350-3360
Identification Number:	10.1016/j.susc.2007.06.014
Status:	Peer Reviewed
Access rights to Published version:	Open Access
Funder:	Deutsche Forschungsgemeinschaft (DFG), Engineering and Physical Sciences Research Council (EPSRC)
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URI:	http://wrap.warwick.ac.uk/id/eprint/3206

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