Nature and degree of distortion of TiO2 (Anatase) surface octahedra upon formation of Ti3+ ions
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- Zarko, V.I. Theor Exp Chem (1999) 35: 238. doi:10.1007/BF02511523
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We show that in the transition from Ti(IV) to Ti(III), on the surface of anatase the TiO6/3 octahedra undergo compressive tetragonal distortion. The axial Ti−O bond length in the octahedron decreases in this case by at least 0.0027 nm.