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A surface X-ray diffraction study of TiO2(110)(3 x 1)-S

Daniels, BG; Bikondoa, O; Thornton, G; (2009) A surface X-ray diffraction study of TiO2(110)(3 x 1)-S. SURF SCI , 603 (13) 2015 - 2020. 10.1016/j.susc.2009.03.021.

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Surface X-ray diffraction has been used to investigate the structure of TiO2(1 1 0)(3 x 1)-S. In concert with existing STM and photoemission data it is shown that on formation of a (3 x 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. (C) 2009 Elsevier B.V. All rights reserved.

Title:A surface X-ray diffraction study of TiO2(110)(3 x 1)-S
Keywords:X-ray scattering, diffraction, and reflection, Chemisorption, Surface relaxation and reconstruction, Titanium oxide, Sulphur, Low index single crystal surfaces, METAL-OXIDE SURFACE, CRYSTAL-STRUCTURES, SULFUR, ADSORPTION, LEED
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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