Rutile TiO2 structure

Next, the rutile (TiO2) based shear structure is discussed. In the rutile-type structure (tetragonal), the metal and oxygen occupy the following positions as shown in Fig. 2.8 ... 

Materials. The titanium dioxide powders were rutile in structure (obtained from the Titanium Division, National Lead Co., Amboy, N. J.), with nominal specific surface areas of 10 and of 100 sq. meters per gram. Chemical analysis by the supplier showed negligible impurities except for 0.8% sodium oxide in the Ti02-100 and traces of iron in both the TiO2-10 and the TiO2-100. The presence of iron was confirmed by the nature of the decay of the neutron irradiation—induced radioactivities. 

Zhang, Z., P. Fenter, S.D. Kelly, J.G. Catalano, A.V. Bandura, J.D. Kubicki, J.O. Sofo, D.J. Wesolowski, M.L. Machesky, N.C. Sturchio, and M.J. Bedzyk, Structure of hydrated Zn2+ at the rutile TiO2(110)-aqueous solution interface Comparison of X-ray standing wave. X-ray absorption spectroscopy, and density functional theory results. Geochimica Et Cosmochimica Acta, 2006. 70(16) p. 4039 056. 

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... 

According to this rule, rutile and, at high pressures, the modification with the cz-PbO2 structure are the most stable forms of TiO2. Numerous compounds crystallize in the rutile type and some in the a-PbO2 type, whereas scarcely any examples are known for the brookite and the anatase structures. 

Operation (7) The mother structure (for example, TiO2 (rutile)) is divided into blocks with the dimension of a = x (n is an integer), where is a shear plane with plane indices (hkl) and is the plane spacing of H. (Fig. 2.2(a)). 

It is comforting that the elemental rules for predicting surface terminations outlined in section 3.1.1. work so well for predicting the structure of the (1x1) terraces and the step edges of all the orientations of both rutile and anatase. The extensive theoretical work has helped to refine the understanding of surface relaxations, and the level of detail on the atomic geometry of the TiO2(110) surface is certainly comparable to that of certain elemental semiconductors or metals. 

For rutile, as a more complex oxide crystal structure, STM of TiO2(110) (Figure 15.23b) reveals also the occurrence of monoatomic steps only however, in this case, several different step directions and step terminations are possible [104]. 

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