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...

One-step TiO2 nanoparticle synthesis based on the interaction between thiourea and metatitanic acid is applied for sulfur and carbon anatase codoping. The synthesis of the doped TiO2 has been monitored by means of differential thermal analysis and thermogravimetric analysis (DTA-TG), which allows determining the optimal thermal conditions for the process. Electron microscopy showed micrometer-s...

Here, the effect of lightly Niobium doped TiO2 layer on the performance of perovskite solar cells has been studied by using solar cell capacitance simulator (SCAPS). N addition, the effects of Niobium concentration, buffer film thickness and operating temperature on the performance of the perovskite solar cell are investigated. For doping level of 3.0 mol% into the TiO2 layer, cell efficiency o...

The detection of partial discharge and analysis of SF6 gas components in gas-insulated switchgear (GIS) is important for the diagnosis and operating state assessment of power equipment. The use of a Pt-doped TiO2 nanotube arrays sensor for detecting sulfur hexafluoride (SF6) decomposition products is proposed in this paper. The electrochemical pulse deposition method is employed to prepare the ...

Mesoporous titanium dioxide co-doped with boron and lanthanum has been prepared by template method using boric acid triethyl ester, lanthanum nitrate hexahydrate and tetrabutyl titanate as precursors and Pluronic P123 as template. The as-prepared photocatalyst is characterized by thermogravimetric differential thermal analysis, N2 adsorption-desorption measurements, X-ray diffraction, scanning ...

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...

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 ...