Single-crystalline rutile nanorods were synthesized by a facile acid treatment on titanate nanotubes. These rutile nanorods could be highly dispersed in water to form a stable colloidal solution. Cu(2+) ions were grafted onto these rutile nanorods, and the Cu(2+)-grafted nanorods could absorb visible light by the interfacial charge transfer between the valence band of rutile TiO(2) and surface-...

We present cluster-dynamic mean field theory DMFT continuous time quantum Monte Carlo method calculations based on a downfolded tight-binding model in order to study the electronic structure of vanadium dioxide VO2 both in the low-temperature M1 and high-temperature rutile phases. Motivated by the recent efforts directed toward tuning the physical properties of VO2 by depositing films on differ...

Samples of porous Ti metal were subjected to different acid and heat treatments. Ectopic bone formation on specimens embedded in dog muscle was compared with the surface characteristics of the specimen. Treatment of the specimens by H2SO4/HCl and heating at 600 °C produced micrometer-scale roughness with surface layers composed of rutile phase of titanium dioxide. The acid- and heat-treated spe...

We present hybrid DFT calculations for large TiO2 cluster models in the gas phase and in solution. Two clusters are investigated, one derived from the anatase bulk structure and the second from rutile. The surfaces are passivated with hydroxyl and water ligands, and continuum solvation is used to model bulk solvent in a subset of calculations. The geometrically optimized bonding patterns, struc...

Poly(vinylidene fluoride) (PVDF) with commercial rutile-TiO2, SiO2, α-Al2O3, and Fe3O4 nanoparticles were prepared via extrusion using different contents, from 0.1 to 10 wt.%. The effect of the in matrix on several material characteristics, such as thermal mechanical properties, crystallinity degree, permeability CO2, examined. X-ray diffraction infrared analyses revealed that successful incorp...

PURPOSE The use of nanoparticles has seen exponential growth in the area of health care, due to the unique physicochemical properties of nanomaterials that make them desirable for medical applications. The aim of this study was to examine the effects of crystal phase-nanostructured titanium dioxide particles on bioactivity/cytotoxicity in breast cancer epithelial cells. MATERIALS AND METHODS ...

Attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopy and quantum chemical calculations were used to elucidate the influence of solution chemistry (pH, amino acid concentration) on the binding mechanisms of glutamic and aspartic acid to rutile (α-TiO(2)). The amino acids, glutamate and aspartate, contain carboxyl and amine groups whose dissociation over a pH range re...

In this work, we focused on improvement of rutile-type TiO2 degradation efficiency by cobalt doping and decorating on carbon nanotubes walls (CNTs) (Co-TiO2/CNTs). We also synthesized pure TiO2, Co-TiO2 and TiO2/CNTs samples for control experiments. The textural and morphology features of the samples were characterized by a range of analyses including: XRD, FESEM/EDX. FTIR, TEM, UV-Vis DRS and ...

Driven by the need for new cathode battery materials with high energy density, fluorides have emerged as promising candidates due to their high voltages. From high throughput computations, dirutile LiMnF4 was identified as a promising cathode with a high conversion voltage and a theoretical specific capacity of 584 mAh/g. In this work, we study the formation of dirutile LiMnF4 through a new, lo...

Rutile-phase TiO2 nanotube arrays without broken walls were formed by annealing of anodically formed nanotubes in a propane flame at 650 °C and in air at 750 °C. An unusual morphological transformation was observed from the ellipsoidal pore-shapes of titania nanotubes grown in aqueous electrolyte to a square-shaped pore structure subsequent to the anneals. 750 °C annealed nanotubes were found t...