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 ...

Semiconductor photocatalysis has been intensively studied in recent decades for a wide variety of application such as hydrogen production from water splitting and water and air treatment. The majority of photocatalysts are, however, wide band-gap semiconductors which are active only under UV irradiation. In order to effectively utilize visible solar radiation, this thesis investigates various t...

the atmospheric pressure chemical vapor synthesis (apcvs) route is a process that can be used for the synthesis of doped-nanocrystalline powders with very small crystallite sizes having a narrow particle size distribution and high purity. in this study, apcvs technique was used to prepare boron-doped titania nanopowders. the effects of temperature, borate flow rate and water flow rate on the am...

Semiconductor TiO2 photocatalysis has attracted much attention due to its potential application in solving the problems of environmental pollution. In this paper, thiourea (CH4N2S) modified anatase TiO2 nanorods were fabricated by calcination of the mixture of TiO2 nanorods and thiourea at 600 °C for 2 h. It was found that only N element was doped into the lattice of TiO2 nanorods. With increas...

The spin-polarized plane-wave pseudopotential method, based on density-functional theory, has been used to calculate the electronic band structures and the optical absorption spectra of nitrogen-doped and oxygen-deficient anatase TiO2. The calculated results are in good agreement with our experimental measurements. These ab initio calculations reveal that the optical absorption of nitrogen-dope...

Fruit and vegetable containers with microbe-free surfaces can be made by coating with titanium dioxide (TiO2) particles or nonmetal (C, N, B, F) doped-TiO2 particles, using wear resistant polymers, such as zein, and paint, as the binders and to form a continuous binding phase. The doped-TiO2 powders absorb visible light radiation, and thus possess a higher antibacterial effect than non-modified...

Hetero-element doping (e.g., N, F, C) of TiO2 is inevitably accompanied by significantly increased structural defects due to the dopants' nature being foreign impurities. Very recently, in situ self-doping with homo-species (e.g., Ti(3+)) has been emerging as a rational solution to enhance TiO2 photoactivity within both UV and visible light regions. Herein we demonstrate that conventional elect...

A novel one-step, vapor-fed aerosol flame synthetic process (VAFS) has been developed to prepare Ti(3+) self-doped titanium dioxide (TiO2). The freshly formed TiO2 was in situ surface hydrogenated during the condensation stage by introducing H2 above the flame, and Ti(3+) ions were created near the surface of TiO2. The relative content of Ti(3+) ions near the surface of TiO2 is estimated to be ...

The aim of this research was to prepare rare metal (Er, Yb)-modified TiO2 nanoparticles by a sol-gel method. The obtained nanoparticles were characterized by BET measurements, UV-Vis spectra and the Laser-induced fluorescence (LIF) method. Visible light photocatalytic activity of the sample was studied by photodegradation of phenol while considering the influence of the dopant concentration. Th...

nickel doped tio2 nano particles (1% w/w) were prepared and immobilized on nax zeolite and after characterization by x-ray diffraction (xrd) and scanning electron microscopy (sem) used as photo catalyts for degradation of orange g. the xrd patterns show that the supported tio2 are crystallized in anatase form and the intensity of the zeolite peaks decreases with the increase of tio2 loading. sc...