Influence of Nitrogen Doping on the Defect Formation and Surface Properties of TiO{sub 2} Rutile and Anatase

Journal Article · Fri Jan 20 00:00:00 EST 2006 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.96.026103· OSTI ID:20776957

Batzill, Matthias; Morales, Erie H; Diebold, Ulrike ^[1]

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1. Department of Physics, Tulane University, New Orleans, Louisiana 70118 (United States)

Nitrogen doping-induced changes in the electronic properties, defect formation, and surface structure of TiO{sub 2} rutile(110) and anatase(101) single crystals were investigated. No band gap narrowing is observed, but N doping induces localized N 2p states within the band gap just above the valence band. N is present in a N(III) valence state, which facilitates the formation of oxygen vacancies and Ti 3d band gap states at elevated temperatures. The increased O vacancy formation triggers the 1x2 reconstruction of the rutile (110) surface. This thermal instability may degrade the catalyst during applications.

• OSTI ID: 20776957
• Journal Information: Physical Review Letters, Vol. 96, Issue 2; Other Information: DOI: 10.1103/PhysRevLett.96.026103; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CATALYSTS
CRYSTAL DOPING
MONOCRYSTALS
NITROGEN
OXYGEN
RUTILE
SURFACE PROPERTIES
TITANIUM OXIDES
ULTRAVIOLET RADIATION
VACANCIES
VALENCE
X-RAY PHOTOELECTRON SPECTROSCOPY