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...

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...

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...

This work describes a potential anode material for lithium-ion batteries (LIBs), namely, anatase TiO2 nanoparticle-decorated carbon nanotubes (CNTs@TiO2). The electrochemical properties of CNTs@TiO2 were thoroughly investigated using various electrochemical techniques, including cyclic voltammetry, electrochemical impedance spectroscopy, galvanostatic cycling, and rate experiments. It was revea...

We report the hydrothermal synthesis of graphene (GNP)-TiO2 nanoparticle (NP) hybrids using COOH and NH2 functionalized GNP as a shape controller. Anatase was the only TiO2 crystalline phase nucleated on the functionalized GNP, whereas traces of rutile were detected on unfunctionalized GNP. X-Ray Photoelectron spectroscopy (XPS) showed C-Ti bonds on all hybrids, thus confirming heterogeneous nu...

First-principles calculations of anatase structured TiO2 and ZrO2 as well as of TiO2-B were carried up to 20 GPa in order to develop an understanding of the unusual compression and pressure-dependent phase transitions reported for nanocrystalline (nc) pure and Zr-doped anatase and nc TiO2-B. The computations, carried out using two global hybrid density functional-Hartree-Fock formulations and a...

Transparent polymer nanocomposites with high refractive index were prepared by grafting polymer chains onto anatase TiO2 nanoparticles via a combination of phosphate ligand engineering and alkyneazide ‘‘click’’ chemistry. Highly crystalline TiO2 nanoparticles with 5 nm diameter were synthesized by a solvothermal method and used as high refractive index filler. The synthesized phosphate-azide li...

The objective of the present study was to develop a practical method to prepare a stable dispersion of TiO2 nanoparticles for biological studies. To address this matter a variety of different approaches for suspension of nanoparticles were conducted. TiO2 (rutile/anatase) dispersions were prepared in distilled water following by treated with different ultrasound energies and various dispersion ...

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...

In general, anatase TiO2 exhibits higher photocatalytic activities than rutile TiO2. However, the reasons for the differences in photocatalytic activity between anatase and rutile are still being debated. In this work, the band structure, density of states, and effective mass of photogenerated charge carriers for anatase, rutile and brookite TiO2 are investigated by the first-principle density ...