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...

This paper reports the structural and optical properties and comparative photocatalytic activity of TiO2 and Ag-doped TiO2 nanoparticles against different bacterial strains under visible-light irradiation. The TiO2 and Ag-doped TiO2 photocatalysts were synthesized by acid catalyzed sol-gel technique and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UV-vis spe...

Multi-walled carbon nanotubes (MWCNT)-doped TiO2 thin films were synthesized by the dip-coating method. The obtained products were characterized by SEM, EDX, XRD, and UV-vis absorption spectroscopy. The XRD patterns showed the presence of anatase phase. Absorption spectrum of MWCNT-doped TiO2 revealed a red shift in the optical absorption edge due to carbon doping. The photocatalytic properties...

Supported copper oxide nanoparticles have attracted considerable attention as active and non-precious catalysts for many catalytic oxidation reactions. Herein, mesoporous xCuO-TiO2 nanotube catalysts were fabricated, and their activity and kinetics toward CO oxidation were studied. The morphology and structure of the prepared catalysts were systematically studied using SEM, TEM, EDS, EDX, XRD, ...

We resolve the structure of a c(2x2) reconstruction of the rutile TiO2 (100) surface using a combination of transmission electron diffraction, direct methods analysis, and density functional theory. The surface structure contains an ordered array of subsurface oxygen vacancies and is in local thermodynamic equilibrium with bulk TiO2, but not the with oxygen gas-phase environment. The transition...

Titanium oxide (TiO2) films and TiO2/SiNx stacks have potential in surface passivation, anti-reflection coatings and carrier-selective contact layers for crystalline Si solar cells. A Si wafer, deposited with 8-nm-thick TiO2 film by atomic layer deposition, has a surface recombination velocity as low as 14.93 cm/s at the injection level of 1.0 × 1015 cm−3. However, the performance of silicon su...

several novel composite membranes were prepared to separate and recycle amoxicillin from pharmaceutical wastewater via nanofiltration process. the synthesis of these membranes included three stages: 1- preparation of polysulfone ultrafiltration membranes as a support via phase separation process, 2- modification of its surface by interfacial polymerization as a selective layer (polyamide), and ...