Effects of Nb doping on the TiO2 anatase-to-rutile phase transition

Influence of nitrogen doping on the defect formation and surface properties of TiO2 rutile and anatase.

Nitrogen doping-induced changes in the electronic properties, defect formation, and surface structure of TiO2 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 ...

Band alignment of rutile and anatase TiO2

The most widely used oxide for photocatalytic applications owing to its low cost and high activity is TiO2. The discovery of the photolysis of water on the surface of TiO2 in 19721 launched four decades of intensive research into the underlying chemical and physical processes involved2–5. Despite much collected evidence, a thoroughly convincing explanation of why mixed-phase samples of anatase ...

Self-induced synthesis of phase-junction TiO2 with a tailored rutile to anatase ratio below phase transition temperature

The surface phase junction of nanocrystalline TiO2 plays an essential role in governing its photocatalytic activity. Thus, facile and simple methods for preparing phase-junction TiO2 photocatalysts are highly desired. In this work, we show that phase-junction TiO2 is directly synthesized from Ti foil by using a simple calcination method with hydrothermal solution as the precursor below the phas...

The simultaneous effect of 3d impurities of transition metals and oxygen vacancy defect on TiO2 anatase and rutile

In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d transition metals with and without oxygen defect is done using FHI-aims as a software package based o...

RETRACTED: Effects of N Doping on Structure and Improvement Photocatalytic Properties of Anatase TiO2 Nanoparticles