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- Title
Determination of conduction and valence band electronic structure of anatase and rutile TiO.
- Authors
SZLACHETKO, JAKUB; MICHALOW-MAUKE, KATARZYNA; NACHTEGAAL, MAARTEN; SÁ, JACINTO
- Abstract
Electronic structures of rutile and anatase polymorph of TiO were determined by resonant inelastic X-ray scattering measurements and FEFF9.0 calculations. Difference between crystalline structures led to shifts in the rutile Ti d-band to lower energy with respect to anatase, i.e., decrease in band gap. Anatase possesses localized states located in the band gap where electrons can be trapped, which are almost absent in the rutile structure. This could well explain the reported longer lifetimes in anatase. It was revealed that HR-XAS is insufficient to study in-depth unoccupied states of investigated materials because it overlooks the shallow traps. [Figure not available: see fulltext.]
- Subjects
TITANIUM dioxide; ELECTRIC conductivity; VALENCE bands; ELECTRONIC structure; RUTILE; TITANIUM oxides; POLYMORPHISM (Crystallography)
- Publication
Journal of Chemical Sciences, 2014, Vol 126, Issue 2, p511
- ISSN
0974-3626
- Publication type
Article
- DOI
10.1007/s12039-014-0584-1