The effects of 3d transition metal doping in TiO2 phases have been simulated in detail. The results of modelling indicate that Mn has the biggest potential among 3d transition metals, for the reduction of energy gap and the introduction of effective intermediate bands to allow multi-band optical absorption. On the basis of theoretical formulation, we have incorporated considerable amount of Mn ...

objective(s): first-principles calculations have been carried out to investigate the interaction of aspirin molecule with nitrogen-doped tio2 anatase nanoparticles using the density functional theory method in order to fully exploit the biosensing capabilities of tio2 particles. methods: for this purpose, we have mainly studied the adsorption of the aspirin molecule on the fivefold coordinated ...

Photocatalysts show great potential in environmental remediation and water splitting using either artificial or natural light. Titanium dioxide (TiO2)-based photocatalysts are studied most frequently because they are stable, non-toxic, readily available, and highly efficient. However, the relatively wide band gap of TiO2 significantly limits its use under visible light or solar light. We herein...

A TiO2 film photoanode with gradient structure in nanosheet/nanoparticle concentration on the fluorine-doped tin oxide glass from substrate to surface was prepared by a screen printing method. The as-prepared dye-sensitized solar cell (DSSC) based on the gradient film electrode exhibited an enhanced photoelectric conversion efficiency of 6.48%, exceeding that of a pure nanoparticle-based DSSC w...

TiO2 nanoparticles are surface-modified via atom transfer radical polymerization (ATRP) with a hydrophilic poly(oxyethylene)methacrylate (POEM), which can coordinate to the Ag precursor, i.e. silver trifluoromethanesulfonate (AgCF3SO3). Following the reduction of Ag ions, a Nb2O5 doping process and calcination at 450 °C, bi-functional Nb-doped TiO2/Ag ternary nanostructures are generated. The r...

Photocatalytic oxidation using semiconductor nanoparticles is an efficient, eco-friendly, and cost-effective process for the removal of organic pollutants, such as dyes, pesticides, phenols, and their derivatives in water. In the present study, nanosize Ag-N-P-tridoped titanium(IV) oxide (TiO2) was prepared by using sol-gel-synthesized Ag-doped TiO2 and soybean (Glycine max) or chickpea (Cicer ...

TiO2 has been considered as a promising anode material for lithium ion batteries. However, its poor rate capability originating from the intrinsically low lithium ion diffusivity and its poor electronic conductivity hampers putting such an application into practice. Both issues can be addressed by nanostructure engineering and conductive surface coating. Herein, we report a template-assisted sy...

The metallorganic chemical vapor deposition method was successfully used to synthesize pure TiO2 and Nd3 -, Pd2 -, Pt4 -, and Fe3 -doped TiO2 nanoparticles. Polycrystalline TiO2 structure was verified with x-ray diffraction, which showed typical characteristic anatase reflections without any separate dopant-related peaks. Transmission electron microscopy observations confirmed the existence of ...

Boron-doped titanium dioxide (B-TiO2) films were deposited by atmospheric pressure chemical vapour deposition of titanium(iv) chloride, ethyl acetate and tri-isopropyl borate on steel and fluorine-doped-tin oxide substrates at 500, 550 and 600 °C, respectively. The films were characterised using powder X-ray diffraction (PXRD), which showed anatase phase TiO2 at lower deposition temperatures (5...

in this research, the thin films of n-s doped titanium dioxide (tio2) were successfully prepared by simple sol-gel method in the presence of tetrabutylorthotitanate as a starting reagent. furthermore, titanium dioxide (tio2) was functionalized with thiourea. furthermore, n-s doped titanium dioxides (nsto) were fixed on glass balls by glass balls fixed-bed reactor system. besides, the effect of ...