Properties of structurally excellent N-doped TiO2 rutile

We have used plasma-assisted molecular beam epitaxy to synthesize structurally near-perfect crystalline films of TiO2-xNx rutile for the first time. These materials allow the properties of TiO2-xNx to be elucidated without the interfering effects of oxygen vacancy defects. In the absence of such def...

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Bibliographic Details
Published in:Chemical physics 2007-10, Vol.339 (1-3), p.27-35
Main Authors: Chambers, S.A., Cheung, S.H., Shutthanandan, V., Thevuthasan, S., Bowman, M.K., Joly, A.G.
Format: Article
Language:English
Subjects:
ANIONS
DEFECTS
Environmental Molecular Sciences Laboratory
HYBRIDIZATION
INTERSTITIALS
IRRADIATION
MATERIALS SCIENCE
MOLECULAR BEAM EPITAXY
OXYGEN
RUTILE
VALENCE
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Summary:We have used plasma-assisted molecular beam epitaxy to synthesize structurally near-perfect crystalline films of TiO2-xNx rutile for the first time. These materials allow the properties of TiO2-xNx to be elucidated without the interfering effects of oxygen vacancy defects. In the absence of such defects, the extent of N incorporation in the lattice is limited to 2 ± 1 at. % of the anions. Substitutional N (NO) exhibits a -3 formal charge due to charge transfer from shallow-donor interstitial Ti(III), which forms during epitaxial growth. Hybridization between NO and adjacent lattice Ti ions occurs, resulting in new states off the top of the rutile valence band and an apparent band gap reduction of ~ 0.5 eV. It is not yet known if these new states result in mobile electron-hole pair creation upon irradiation, but experiments are planned to answer this important question.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2007.04.024