Formamide contains the four elements (C, H, O, and N) most required for life and it is attractive as a potential prebiotic starting material for nucleobase synthesis. In the presence of catalysts (for example, TiO2) and with moderate heating, formamide can pass surface energy barriers, yielding a complete set of nucleic bases and acyclonucleosides, and favoring both phosphorylations and transph...

The detection of partial discharge by analyzing the components of SF6 gas in gas-insulated switchgears is important to the diagnosis and assessment of the operational state of power equipment. A gas sensor based on anatase TiO2 is used to detect decomposed gases in SF6. In this paper, first-principle density functional theory calculations are adopted to analyze the adsorption of SO2, SOF2, and ...

Titanium K-edge X-ray absorption near-edge structure (XANES) spectroscopy is used to examine the local Ti environments in the sol, gel, and xerogels of titanium oxide prepared by a sol-gel method. The xerogels were prepared by heat treatment at 200, 300, 400, 500, and 600 degrees C (denoted xero-200, xero-300, xero-400, xero-500, and xero-600), and the xerogels were doped with Fe(II), Ni(II), a...

Textural evolution (porosity reduction, pore and crystallite growth) in titania-alumina composite membranes has been studied using thermal analysis, X-ray diffraction, field emission scanning electron microscopy and N, physisorption techniques. The presence of alumina in the membranes improved the thermal stability of the porous texture by retarding the anatase-to-rutile phase transformation a...

We demonstrate that the use of poly(vinyl pyrrolidone) (PVP) and acetic acid during the synthesis of TiO(2) nanotubes may result in the synthesis of single-crystal-like anatase TiO(2) with a mainly exposed and chemically active (001) facet. An enhancement in the overall conversion efficiency of dye-sensitized solar cells was observed in a photoanode consisting of TiO(2) single-crystal-like anat...

Traces of ferric oxide have a strong catalytic effect on both nucleation and growth phases of the transfornation of TiOz from anatase to rutile. This effect is greatly enhanced in atmospheres of low/6,. Using X-ray diffraction techniques, the kinetics of the phase transformation were studied at 1 atm. and 900 to 1000'Q for anatase mixed intimately with up to 0.2/s by weight hematite (Feroa) tn ...

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 ...

Composite TiO2-WO3 oxide materials were prepared by a single pot microemulsion method and studied during calcination treatments under dry air in order to analyze the influence of tungsten on the behavior of the dominant titania component. To this end, the surface and bulk morphological and structural evolution of the solid precursors was studied using X-ray diffraction and infrared spectroscopy...

The chemical reactivity of different surfaces of titanium dioxide (TiO2) has been the subject of extensive studies in recent decades. The anatase TiO2(001) and its (1 × 4) reconstructed surfaces were theoretically considered to be the most reactive and have been heavily pursued by synthetic chemists. However, the lack of direct experimental verification or determination of the active sites on t...

This work sheds light on the exceptional robustness of anatase TiO2 when it is downsized to an extreme value of 4 nm. Since at this size the surface contribution to the volume becomes predominant, it turns out that the material becomes significantly resistant against particles coarsening with temperature, entailing a significant delay in the anatase to rutile phase transition, prolonging up to ...