in order to improve uv and visible lights photocatalytic activities of the pure anatase tio2, a novel and efficient n-doped tio2 photocatalyst was prepared by sol-gel method. n-doped titania is prepared using triethylamine (with difference molar ratios) as the nitrogen source. the crystalline structure, morphology, particle size, absorbance and band-gap and chemical structure of n-doped tio2 wa...

adsorption of no2 molecule on pristine and n-doped tio2 anatase nanoparticles have been studied using the density functional theory (dft) technique. the structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. the results show that, the adsor...

In this paper, N-doped TiO2 (N-TiO2) nanorod arrays were synthesized with hydrothermal method, and perovskite solar cells were fabricated using them as electron transfer layer. The solar cell performance was optimized by changing the N doping contents. The power conversion efficiency of solar cells based on N-TiO2 with the N doping content of 1% (N/Ti, atomic ratio) has been achieved 11.1%, whi...

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...

Density functional theory calculations were carried out to study the interaction of heroin molecule with pristine and N-dopedTiO2 anatase nanoparticles. The oxygen atom of heroin molecule was found to be the binding site on the heroin molecule. In contrast, the binding site of TiO2 nanoparticle was positioned over the fivefold coordinated titanium atoms. The results showed that the adsorption e...

Density functional theory calculations were carried out to study the interaction of heroin molecule with pristine and N-dopedTiO2 anatase nanoparticles. The oxygen atom of heroin molecule was found to be the binding site on the heroin molecule. In contrast, the binding site of TiO2 nanoparticle was positioned over the fivefold coordinated titanium atoms. The results showed that the adsorption e...

BACKGROUND Un-doped and N-doped TiO2 nano-particles with different nitrogen contents were successfully synthesized by a simple sol-gel method, and were characterized by X-ray diffraction, field emission scanning electron microscopy, Energy dispersive X-ray analysis and UV-visible diffuse reflectance spectra techniques. Then enhancement of sonocatalytic degradation of humic acid by un-doped and ...

Regularly spaced TiO2 nanotubes were prepared by anodizing a titanium substrate in triethylene glycol electrolyte at elevated temperature. In comparison to conventional TiO2 nanotubes, spaced nanotubes possess an adjustable spacing between the individual nanotubes; this allows for controlled buildup of a hierarchical nanoparticle-on-nanotube structure. Here, we use this principle for layer-by-l...

A novel photoelectrochemical (PEC) biosensor was fabricated based on N-doped TiO2 for the detection of Hg(2+) through the quenching of photogenerated electrons. The N-doped TiO2 was synthesized by a sol-gel method with urea and tetrabutyl titanate as the N and Ti sources. Compared with the undoped TiO2, the N-doped TiO2 showed an enhanced photocurrent response under visible light (λ > 420 nm). ...

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...