Density functional theory calculations were performed to investigate vitamin C interaction withN-doped TiO2 anatase nanoparticles. The adsorption of vitamin C on the energy favorable fivefoldcoordinated titanium sites was investigated. Various adsorption geometries of vitamin C towardsthe nanoparticle were examined. Since the adsorption energies of N-doped nanoparticles are higherthan those of ...

Titanium dioxide nanoparticles play a crucial role in the production of hydrogen gas evolution. Among four polymorphic phases TiO2 (anatase, rutile, brookite, and (B)), anatase phase shows good photo activity catalytic applications. We prepared single anatasephase usinga facile one-step ionothermal method with existence 1-(3,6-dioxa heptane) 3-methyl imidazolium methane sulfonate IL[DOMIMS]. Th...

Hierarchical anatase TiO(2) porous nanopillars with high crystallinity and stability were fabricated by the following four steps: (i) synthesis of a titanium glycolate nanopillar precursor; (ii) transformation into stable nanopillars consisting of amorphous TiO(2) primary nanoparticles at low temperature; (iii) treatment with ethylenediamine aqueous solution to protect the nanopillar structure,...

One-step TiO2 nanoparticle synthesis based on the interaction between thiourea and metatitanic acid is applied for sulfur and carbon anatase codoping. The synthesis of the doped TiO2 has been monitored by means of differential thermal analysis and thermogravimetric analysis (DTA-TG), which allows determining the optimal thermal conditions for the process. Electron microscopy showed micrometer-s...

To optimize the conversion efficiency of plastic dye-sensitized solar cells fabricated by the electrophoretic deposition technique, anatase TiO2 nanoparticles of various sizes from 10 nm to 27 nm have been synthesized via a simple hydrothermal process. The obtained TiO2 nanoparticles have been characterized by X-ray diffraction and high resolution transmission electron microscopy, which confirm...

objective(s): adsorption of immucillin-a (bcx4430) molecule on the pristine and n-doped tio2 anatase nanoparticles were studied using the density functional theory (dft) calculations. the adsorption energy analysis indicated that tio2+immucillin-a complexes including oc-substituted tio2 have higher adsorption energy than the complexes with ot substituted tio2, thus providing more stable configu...

The phenomenological model of sulphate anions effect on the nanodispersed titania synthesis during hydrolysis of titanium tetrachloride was studied. It was proposed that both chelating and bridging bidentate complexes formation between sulphate anions and octahedrally coordinated [Ti(OH)h(OH2)6-h](4-h)+ mononers is the determinative factor for anatase phase nucleation.

OBJECTIVES Titanium dioxide (TiO(2)), a common nanoparticle widely used in industrial production, is one of nano-sized materials. The purpose of this study was to determine the acute and chronic toxicity of TiO(2) using different size and various concentrations on Daphnia magna. METHODS In the acute toxicity test, four concentrations (0, 0.5, 4, and 8 mM) for TiO(2) with 250 or 500 nm and fiv...