We have performed a density functional theory investigation on the structural and electronic properties of pristine and Nitrogen-doped TiO2 anatase nanoparticles as the adsorbents for removal and degradation of hydrazine molecules in the environment. We have presented the most stable adsorption configurations and examined the interaction of hydrazine molecule with these doped and undoped nanopa...

Absorption spectra of anatase and rutile TiO2 in the 150-300 nm region before and after the deposition of Pt nanoparticles were measured. For anatase TiO2, the spectral intensity in the longer wavelength region decreased (>∼210 nm), while that in the shorter wavelength region increased (<∼210 nm). In particular, spectral band intensity in the far-ultraviolet (FUV) region (∼160 nm) was increased...

Titanium dioxide (TiO2) nanoparticles are currently the second most produced engineered nanomaterial in the world with vast usage in consumer products leading to recurrent human exposure. Animal studies indicate significant nanoparticle accumulation in the brain while cellular toxicity studies demonstrate negative effects on neuronal cell viability and function. However, the toxicological effec...

Molecular dynamics simulations of titanium dioxide nanoparticles in the three commonly occurring phases (anatase, brookite, and rutile) are reported. The structural properties inferred by simulated X-ray diffraction patterns of the nanoparticles were investigated. The titanium-oxygen bond length as a function of size, phase, and temperature was determined and was found to be dependent on the co...

The TiO 2 support phase composition (anatase/rutile ratio) directly impacts key factors such as the metal–support interaction and nanoparticle size driving Co catalyst performances in ?-valerolactone hydrogenation to 2-methyltetrahydrofuran.

The adhesion of TiO(2) (anatase structure) nanoparticles to kaolinite substrate was investigated using molecular modeling. Universal force field computation, density function theory computation, and a combination of both two approaches were used. This study enabled the adhesion energy for the TiO(2)/kaolinite nanocomposite to be estimated, and revealed the preferred orientation of the TiO(2) na...

While few publications have documented the uptake of nanoparticles in plants, this is the first study describing uptake and distribution of the ultrasmall anatase TiO(2) in the plant model system Arabidopsis. We modified the nanoparticle surface with Alizarin red S and sucrose and demonstrated that nanoconjugates traversed cell walls, entered into plant cells, and accumulated in specific subcel...

A new turbulent, premixed, stagnation swirl flame (SSF) is used to synthesize titanium dioxide (TiO2) nanopowders. Synthesis conditions under two flame modes, i.e., burnerand substrate-stabilized SSF, are investigated, for the same equivalence ratio, but different inert-dilution ratios. The particles (collected on the substrate) have high anatase purity, with mean diameters of 5–10 nm, determin...