TiO2 , electronic structure

Scanning tunneling microscopy studies of metal clusters supported on TiO2(110) Morphology and 53. electronic structure. Prog. Surf. Sci. 1998, 59, 25. 

Di Valentin C, Pacchioni G, Selloni A (2006) Electronic structure of defect stales in hydroxylated and reduced rutile TiO2(110) surfaces. Phys Rev Lett 97(16) 166803-166806... 

Miller KL, Musgrave CB, Falconer JL, Medlin JW (2011) Effects of water and formic acid adsorptimt on the electronic structure of anatase TiO2(101). J Phys Chem C 115(6) 2738-2749... 

On the other hand, Muryn et al. (1991) have observed that the presence of steps and point defects on TiO2(100) does not change the ability of the surface to dissociate water molecules. The relationship between the local electronic structure and the reactivity will be made explicit in Chapter 6. 

Onda K, Li B, Zhao J et al (2005a) The electronic structure of methanol covered TiO2(110) surfaces. Surf Sci 593 32-37... 

Five samples with the nominal compositions shown in Table 2.8 were prepared by heating weighed mixtures of V2O3 and TiO2 in evacuated silica tubes at 1200 °C for 1-10 days. Electron diffraction patterns were taken for these samples, and the patterns on the [111] zone could be classified as Dj, D2, and Dj, as shown in Fig. 2.110. D, and D3 patterns come from the structures derived by the shear operations of (121) [0il] and (132) [O11], respectively. D2 patterns, on the other hand, show the arrays rotating between (121) and (132), which is very similar to the Ti O2 i system. Some of the examples with D2 patterns on the [111] zone axis are shown in Fig. 2.111. 

In Fig. 15a, O atoms would move to the right and Ti atoms to the left. The net effect of these displacement is to increase the effective coordination of the 5-fold coordinated Ti atoms [109]. To my knowledge, no experimental data on relaxations of the TiO2(100)(lxl) surface exist. X-ray photoelectron and Auger electron diffraction were performed but are insensitive to the details of the surface structure [111]. 

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