Titanium dioxide (TiO2) incorporated ordered 2D hexagonal mesoporous silica (SiO2) films on a glass substrate were fabricated for use as a catalytic nanoreactor. Films were prepared using a tetraethyl orthosilicate (TEOS) derived SiO2 sol and a commercially available dispersion of TiO2 nanoparticles (NPs) in the presence of pluronic P123 as the structure directing agent. The effect of TiO2 dopi...

we have performed density functional theory investigations on the adsorption properties of ammonia molecule on the undoped and n-doped tio2 anatase nanoparticles. we have geometrically optimized the constructed undoped and n-doped nanoparticles in order to fully understand the adsorption behaviors of ammonia molecule. for tio2 anatase nanoparticles, the binding site is preferentially located on...

The interaction strength of Au nanoparticles with pristine and nitrogen doped TiO2 nanowire surfaces was analysed using density functional theory and their significance in enhancing the solar driven photoelectrocatalytic properties was elucidated. In this article, we prepared 4-dimethylaminopyridine capped Au nanoparticle decorated TiO2 nanowire systems. The density functional theory calculatio...

A new strategy for enhancing the efficiency of TiO2 dye-sensitized solar cells (DSSCs) by doping foreign ion into TiO2 lattice via sol-gel process is reported. DSSCs are based on a semiconductor (i.e., TiO2), formed between a photo-sensitized anode and an electrolyte. In order to reach high conversion efficiency, it is important to increase the electron injection and optical absorption. One pro...

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...

by means of first principles calculations we show that both rutile and anatase phases of bulk tio2 doped by s, se or pb can display substantial decreasing in the band gap (up to 50%), while doping by zr does not sizably affect the band-gap value. moreover, the absorption edge is shifted (up to 1 ev) to the lower energy range in the case of tio2 doped by s or pb that opens a way to enhancing of ...

The density functional theory (DFT) calculations were used to get information concerning the interaction of curcumin with pristine and N-doped TiO2 anatase nanoparticles. Three adsorption geometries of curcumin over the TiO2 anatase nanoparticles were studied in order to fully exploit the sensing properties of TiO2 nanoparticles. Curcumin molecule adsorbs on the fivefold coordinated titanium si...

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...

Hydrophilic Cu-TiO2 thin films with a gradient in the Cu concentration were prepared on glass by layer-by-layer dip-coating from TiO2 precursors. The effects of the Cu doping on the structure and properties of TiO2 self-cleaning thin films are discussed. The Cu gradient markedly affects the hydrophilicity of the films, with the water contact angle significantly reduced compared with those of th...