The rate of spin-surface crossing from the singlet to the triplet potential energy surface during methanol oxidation has been examined for classically spin-forbidden crossings. The Landau-Zener equation has been used to calculate the thermally-averaged spin transition probabilities for the nonadiabatic surface crossing reaction. Two active sites have been investigated: isolated vanadate species...

The adsorption of the H2S molecule on the undoped and N-doped TiO2 anatase supported Au nanoparticles were studied using density functional theory calculations. The adsorption of H2S on both Au and TiO2 sides of the nanoparticle was examined. On the TiO2 side, the fivefold coordinated titanium site was found to be the most favorable binding site, giving rise to the strong interaction of H2S wit...

We report a novel synthesis of Ti5Si3 nanoparticles (NPs) via the magnesio-reduction of TiO2 NPs and SiO2 in eutectic LiCl-KCl molten salts at 700 °C. The Ti5Si3 particle size (∼25 nm) is confined to the nanoscale due to the partial dissolution of Mg and silica in the molten salts and a subsequent heterogeneous reduction on the surface of the TiO2 NPs.

Low-cost antireflection coatings (ARCs) on large optical surfaces are an ingredient-technology for high-performance solar cells. While nanoporous thin films that meet the zero-reflectance conditions on transparent substrates can be cheaply manufactured, their suitability for outdoor applications is limited by the lack of robustness and cleanability. Here, we present a simple method for the manu...

The paper contrasts the main drawbacks of silica based packings such as their relative thermal and chemical instability with excellent stability of metal oxides. The paper concerns mainly ZrO2, TiO2 and Al2O3. Surface chemistry of the oxides is however very different from that of silica. Ability of the oxides to ionand ligand-exchange is discussed from a chromatographic point of view.

Reactivity of sub 1 nm supported clusters: (TiO2)(n) clusters supported on rutile TiO2 (110) Author(s) Iwaszuk, Anna; Nolan, Michael Publication date 2011-02 Original citation IWASZUK, A. & NOLAN, M. 2011. Reactivity of sub 1 nm supported clusters: (TiO2)n clusters supported on rutile TiO2 (110). Physical Chemistry Chemical Physics, 13, 4963-4973. doi: 10.1039/C0CP02030C Type of publication Art...

TiO2 is exceptionally useful, but it remains a great challenge to develop a universal method to coat TiO2 nanoshells on different functional materials. We report a one-pot, low-temperature, and facile method that can rapidly form mesoporous TiO2 shells on various inorganic, organic, and inorganic-organic composite materials, including silica-based, metal, metal oxide, organic polymer, carbon-ba...

This project is an extension of TEM work conducted on a previous AINSE funded project AINGRA08066, and aims to use the TEM, STEM/HAADF, EDS and plasmon imaging facilities at ANSTO to structurally characterize novel supported silver nanoparticle catalysts for ozone abatement, and supported gold catalysts for low temperature CO oxidation. The catalysts, fabricated at the University of Auckland, c...

TiO2-SiO2 core-shell particles include of monodisperse silica core and nanostructured titania shell were synthesized by a multi-step coating process. The monodisperse silica spheres were synthesized by Stöber method and titania shell was obtained of a colloidal sol prepared by a hydrolysis–condensation reaction. The titania sol was deposited on monodisperse silica spheres by a multi-step coatin...

A simple biotemplating method for the synthesis of silica (SiO2) and titania (TiO2) nanowires was designed on a fibrillar protein (alpha-synuclein) template. The diameter of SiO2 and TiO2 nanowires could be varied, between 20-100 nm, by varying the processing conditions. The nanowires were characterized by energy dispersive spectroscopy (EDS) and electron energy loss spectroscopy (EELS). Due to...