In this study, a full-potential density functional theory was used to investigate the effects of Ti substitution by different cations. In both rutile and anatase, Ti atom was replaced by Ce, Au, Sn, Ag, Mo, Nb, Zr, and Y. Phase stability, electronic structure and formation energy of oxygen vacancy were compared for rutile and anatase. The results indicated that substitution of Ce and Zr increas...

Safe and effective methods for oral bacterial disinfection have been desired, since bacteria cause many infectious diseases such as dental caries, periodontal disease, and endodontic infections. Singlet oxygen ((1)O(2)) is attractive, because it is toxic to prokaryotic cells, but not to eukaryotic cells. We selected irradiation of titanium dioxide (TiO(2)) as a source of (1)O(2), because it has...

Emerging nanomaterials are being manufactured with varying particle sizes, morphologies, and crystal structures in the pursuit of achieving outstanding functional properties. These variations in these key material properties of nanoparticles may affect their environmental fate and transport. To date, few studies have investigated this important aspect of nanoparticles' environmental behavior. I...

TiCl4, ammonia, inorganic salts as raw material, nanometer composite-crystal TiO2 powders were synthesized by two-step chemical method. Precursors were crystallized with different phase and stable composite-crystal TiO2 with anatase and rutile phase was prepared at low temperature. Quantitative control of crystal phase was realized. Remarkable factors includ...

Samples of Ba1.266Ti2.956 Fe7.6Li0.844O19 hexaferrite have been prepared using anatase and rutile phases of TiO2 by classical ceramic route. A pure sample of Ba Fe12O19 has also been prepared for comparison. The structural, electrical and magnetic characteristics have been studied by XRD, SEM, FTIR, two probe method, hysteresis loop and susceptibility curves. The samples exhibit hexagonal magne...

Doped and undoped nanostructured titanium dioxide was synthesized via a sol–gel method under varying conditions to determine the effects of neodymium ion doping on the titania lattice. Specifically, the effects of doping on the anatase to rutile phase transformation were studied. Samples were analyzed by a variety of techniques, including X-ray diffraction, Rutherford back-scattering spectrosco...

Structurally incorporated impurities have been shown to have systematic effects on the rate of the thermally driven transformation in titania nanoparticles [1-4]. The anatase-to-rutile transformation is slowed when anatase nanoparticles are doped with a cation of valence > +4, but favored when the valence < +4. Based on these observations, Y dopants should promote the anatase-to-rutile transfor...

Through the addition of a solid-state precursor, a large-scale, transparent, and free-standing film of 1-D rutile/anatase TiO2 nanorod arrays can be fabricated by dynamically changing the acidity and concentrations of titanium and chloride ions, and creating anatase growth-friendly conditions.

TiO2 nanopowder is prepared by simple sol-gel method using starting material as titanium isopropoxide with methanol and annealed at 600°C, 700°C and 800°C for 1 hour in air. X-ray diffraction pattern revealed the presence of both anatase and rutile phase in TiO2 specimens annealed at different temperatures. It is observed that the content of rutile phase and crystallite size increases with incr...

Oriented arrays of both rutile and anatase nanorods have been synthesised in a two-stage process, employing multi-walled carbon nanotubes as the initial structural template.