Morphology changes induced by surface chemistry can provide important insights into photoexcitation processes on solids which are critical to photovoltaic and photocatalytic applications. This area is of particular relevance for TiO2based nanomaterials, which have become available as sheets, wires, tubes, and rods only recently. We investigated charge-separation processes on Na2Ti3O7 nanowires ...

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Molybdenum isotopes are an established proxy for paleoredox conditions in low-temperature surface systems. However, the mechanisms behind demonstrated Mo isotope fractionation during igneous and hydrothermal processes at elevated temperatures still controversial. This study focusses on a comprehensive dataset documenting late stage magmatic-hydrothermal evolution of systematics miarolitic cavit...

The mechanistic aspects of ethylene addition to MO2(CH2)(CH3) (M=Co, Rh, Ir) have been investigated with a Hartree-Fock/DFT hybrid functional at the MO6/LACVP* and B3LYP/LACVP* levels of theory to elucidate the reaction pathways on the singlet, doublet and triplet potential energy surfaces (PES). In the reaction of the IrO2CH2CH3 complex with ethylene, [3 + 2]C,O addition is the most plausible ...

Molybdenum and zirconium mixed oxides were supported on siliceous MCM-41 mesoporous material. The resultant materials were characterized with various techniques such as X-ray diffraction (XRD), nitrogen adsorption, Transmission electron microscopy (TEM), XANES, NH3-TPD, and Diffuse reflectance infrared Fourier transform spectra (DRIFTS) of pyridine. It was found that the well-ordered channeling...

The content of molybdenum in high level vitrified waste is limited. The selective separation and recovery of Mo(VI) from HLLWs containing highly concentrated HNO3 are very important in relation to the volume reduction of radioactive wastes, partitioning of nuclides and to make efficient use of resources. The organic extractant LIX63 (5,8-diethyl-7-hydroxy-6-dodecanone oxime) is effective for th...

The periselectivity and chemoselectivity of the addition of transition metal oxides of the type ReO3L (L = Cl, CH3, OCH3 and Cp) to ethenone have been explored at the MO6 and B3LYP/LACVP* levels of theory. The activation barriers and reaction energies for the stepwise and concerted addition pathways involving multiple spin states have been computed. In the reaction of ReO3L (L = Cl(-), OCH3, CH...

The mineral priderite has been examined by electron microprobe analysis and electron diffraction. The composition was approximately (Ko.97Bao.aa)(FeH7 Ti6.60Mg0.23)O16, which is in line with the observed superlattice periodicity of m = 5.88, there being intergrowths of rn = 5 and m = 6 superstructures. A surprisingly high degree of lateral correlation between tunnel cations was noted. RECENTLY ...