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...

Background: A simple hydrothermal process was applied to synthesize the doped TiO2 particles with different concentrations as well as different metal ions (Mn, Ce and La). Methods: The synthesis of Mn-doped-TiO2 nanoparticles was done by using a hydrothermal method from hydrolysis of titanium tetrachloride in aqueous solution. The photocatalytic activities were checked by studying the degradati...

Titanium dioxide (TiO2) was doped with the combination of several metal ions including platinum (Pt), chromium (Cr), vanadium (V), and nickel (Ni). The doped TiO2 materials were synthesized by standard sol-gel methods with doping levels of 0.1 to 0.5 at.%. The resulting materials were characterized by x-ray diffraction (XRD), BET surface-area measurement, scanning electron microscopy (SEM), and...

A new photocatalyst, known as nitrogen-doped TiO2 (TiO2-xNx), yielding high reactivity under visible light irradiation, together with high potential for mass-productivity, has been developed by using a highly time-efficient development technique that combines computational materials design with experimental syntheses. Under visible light irradiation, TiO2-xNx films and powders exhibit significa...

The electronic structures, formation energies, and band edge positions of anatase TiO2 doped with transition metals have been analyzed by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The model structures of transition metal-doped TiO2 were constructed by using the 24-atom 2 × 1 × 1 supercell of anatase TiO2 with one Ti a...

Silver doped TiO2 nanoparticles have been prepared by liquid impregnation (LI) and photodeposition (PD) methods and characterized by surface analytical methods such as scanning electron micrographs (SEM) and X-ray diffraction (XRD). The photocatalytic activity of silver doped TiO2 was tested by photocatalytic degradation of C.I. Acid Red 88 (AR88) as a model compound from monoazo textile dyes. ...

The modified TiO2 nanoparticles (NPs) to enhance their catalytic activities by doping them with the five transition metals (Cr, Mn, Fe, Co, and Ni) have been investigated using various surface analysis techniques such as scanning electron microscopy (SEM), Raman spectroscopy, scanning transmission X-ray microscopy (STXM), and high-resolution photoemission spectroscopy (HRPES). To compare cataly...

The analysis to SF6 decomposed component gases is an efficient diagnostic approach to detect the partial discharge in gas-insulated switchgear (GIS) for the purpose of accessing the operating state of power equipment. This paper applied the Au-doped TiO2 nanotube array sensor (Au-TiO2 NTAs) to detect SF6 decomposed components. The electrochemical constant potential method was adopted in the Au-...

In this study, we used nitrogen-doped titanium dioxide (N-TiO2) NPs in conjugation with visible light, and show that both reactive oxygen species (ROS) and autophagy are induced by this novel NP-based photodynamic therapy (PDT) system. While well-dispersed N-TiO2 NPs (≤100 μg/ml) were inert, their photo-activation with visible light led to ROS-mediated autophagy in leukemia K562 cells and norma...

We investigated the effect of Zn-doping on structural and optical properties as well as cellular response of TiO2 nanoparticles (NPs) in human breast cancer MCF-7 cells. A library of Zn-doped (1-10 at wt%) TiO2 NPs was prepared. Characterization data indicated that dopant Zn was incorporated into the lattice of host TiO2. The average particle size of TiO2 NPs was decreases (38 to 28 nm) while t...