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A surface X-ray diffraction study of TiO2(1 1 0)(3 × 1)-S |
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| Authors: | BG Daniels G Thornton |
| Institution: | a School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK b European Synchrotron Radiation Facility, 6 rue Jules Horowitz, B. P. 220, F-38043 Grenoble cedex 09, France c London Centre for Nanotechnology and Chemistry Department, University College London, 20 Gordon Street, London WC1H 0AJ, UK |
| Abstract: | Surface X-ray diffraction has been used to investigate the structure of TiO2(1 1 0)(3 × 1)-S. In concert with existing STM and photoemission data it is shown that on formation of a (3 × 1)-S overlayer, sulphur adsorbs in a position bridging 6-fold titanium atoms, and all bridging oxygens are lost. Sulphur adsorption gives rise to significant restructuring of the substrate, detected as deep as the fourth layer of the selvedge. The replacement of a bridging oxygen atom with sulphur gives rise to a significant motion of 6-fold co-ordinated titanium atoms away from the adsorbate, along with a concomitant rumpling of the second substrate layer. |
| Keywords: | X-ray scattering diffraction and reflection Chemisorption Surface relaxation and reconstruction Titanium oxide Sulphur Low index single crystal surfaces |
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