In this study, we focused on the origin on the selective deposition of rutile and anatase TiO2 thin films during the sputtering process. The observation on microstructural evolution of the TiO2 films by transmission electron microscopy revealed the coexistence of rutile and anatase TiO2 phases in the initial stage under the preferential growth conditions for the anatase TiO2; the observations f...

Using MnSO4 ̈H2O as manganese source and urea as nitrogen source, Mn/N co-doped TiO2 loaded on wood-based activated carbon fiber (Mn/Ti-N-WACF) was prepared by sol–gel method. Mn/Ti-N-WACF with different Mn doping contents was characterized by scanning electron microscopy, X-ray diffraction (XRD) and X-ray photoelectron spectroscopies (XPS), and ultraviolet-visible spectrophotometer. Results sho...

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...

First-principles calculations of anatase structured TiO2 and ZrO2 as well as of TiO2-B were carried up to 20 GPa in order to develop an understanding of the unusual compression and pressure-dependent phase transitions reported for nanocrystalline (nc) pure and Zr-doped anatase and nc TiO2-B. The computations, carried out using two global hybrid density functional-Hartree-Fock formulations and a...

C-, V-doped TiO2 photocatalysts are prepared by a sol-gel process. These catalysts are highly active for the degradation of acetaldehyde both under visible irradiation (> 420 nm) and in the dark, especially for 2.0% V-containing co-doped TiO2. Characterization results suggest that vanadium ions are introduced both on the surface and into the bulk of TiO2. A free electron, induced by the formati...

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...

Direct photocatalytic oxidation of methane to liquid oxygenated products is a sustainable strategy for valorization at room temperature. However, in this reaction, noble metals are generally needed function as cocatalysts obtaining adequate activity and selectivity. Here, we report atomically dispersed nickel anchored on nitrogen-doped carbon/TiO2 composite (Ni−NC/TiO2) highly active selective ...

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 ...

Nickel doped TiO2nano particles (1% w/w) were prepared and immobilized on NaX zeolite and after characterization by X-ray diffraction and scanning electron microscopy used as photo catalyts for degradation of orange G. The X-ray diffraction patterns show that the supported TiO2 are crystallized in anatase form and the intensity of the zeolite peaks decreases with the incre...