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...

S-doped and bare mesoporous TiO2 were prepared using titanium tetraisopropoxide and thiocarbamide as raw materials. Prepared materials were characterized by means of fourier transform infrared spectroscopy FT-IR, thermogravimetry-differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD), UV–Vis absorption spectroscopy, Brunauer–Emmett–Teller (BET) specific surface area and Barrett–Joy...

Titanium dioxide (TiO2) is the leading material for self-cleaning applications due to its chemical inertness, mechanical robustness, durability to extended photocatalytic cycling, low cost and high photocatalytic activity. There has been a concerted effort to try and improve the material’s functional properties through impurity doping; altering the band structure and electronic transport proper...

Nitrogen-doped TiO2 nanoparticles were synthesized via plasma assisted metal organic chemical vapor deposition. Nitrogen dopant concentration was varied from 0 to 1.61 at. %. The effect of nitrogen ion doping on visible light photocatalysis has been investigated. Samples were analyzed by various analytical techniques such as x-ray diffraction, transmission electron microscopy, x-ray photoelectr...

In the present study, the insulating titanium dioxide (TiO2) nanoparticles were dispersed in two different concentrations of 0.5 wt % and 1.0 wt % in pure ferroelectric liquid crystal (FLC) mixture, W206E. The effects of different concentrations of dopant TiO2 in W206E for electro-optical and dielectric properties have been studied. The optical microscopy measurements clearly show the isotropic...

A series of N-doped anatase TiO2 samples have been prepared using a solvothermal method in an organic amine/ethanol–water reaction system. The effects of different starting N : Ti atomic ratios on the catalysts structure, surface property and catalytic activity have been investigated. The photocatalytic activity and stability of the N-doped TiO2 samples were evaluated through using the decompos...

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...