The Surface Science of Titanium Dioxide

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16, these strands are precursors for the (1 Â 2) reconstruction. Conflicting geometric models have been proposed for this reconstruction. 2. The presence of such dispersed strands is sample-dependent. Li et al. heated samples cut from the same specimen to different temperatures in a furnace in order to achieve different levels of bulk reduction (see Fig. 5). After sputtering and annealing at 973 K for 10 min, strands were present on dark blue samples. Less reduced samples that exhibit a lighter color did not show any strands [144].

The coordination of relaxations (1 A the surface Ti atoms differ considerably from the simple microfacet model, see Fig. 23C. Threefold coordinated Ti atoms were found at the facet ridges (Ti1 in Fig. 23C), in agreement with previous work. g. Ti3 in an oxygen bridge site, titanium B in a trigonal prismatic coordination, as well as an interstitial Ti site A. Obviously, this model deviates strongly from the simple microfaceted structure. The original GIXD data, which were the basis for the microfaceted model, were re-evaluated recently by Landree et al.

Calculations of the electrostatic potential by Woning and van Santen [223] also predict that the rutile (1 1 0) surface can be reduced easier than the anatase (1 0 1) surface. 102 U. Diebold / Surface Science Reports 48 (2003) 53±229 Ê ) of an anatase (1 0 1) surface. Four features could possibly Fig. 29. STM image (Vs ˆ ‡1:22 V, It ˆ 1:23 nA, 130 Ð Â 60 A be representative of oxygen vacancies; single black spots (A), double black spots (B), bright spots (C), and half black spots (D). The density of these atomic defects is rather small, con®rming the theoretically predicted high stability of anatase (1 0 1).

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