Preparation of nanocrystalline BaTiO(sub 3) characterized by the in situ X-ray absorption spectroscopy

Article Abstract:

A combination of polymerization and pyrolysis of a metallo-organic precursor is used to prepare barium titanate BaTiO(sub 3) nanopowders. X-ray absorption near-edge structure (XANES) spectroscopy was applied in the preparation of BaTiO(sub 3) nanopowders.

Petroleum Refineries, Petroleum refining, Polymerization, Barium, Optical properties, X-ray spectroscopy, Addition polymerization, Titanium

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Ab initio calculation of the (super17)O and (super1)H NMR parameters for various OH groups: implications to the speciation and dynamics of dissolved water in silicate glasses

Article Abstract:

The NMR characteristics of various types of hydroxyls (OH) are studied through Ab initio molecular calculations. The (super 17)O NMR parameters for hydroxyls in hydrate silicate from experimental vibrational spectra and (super 1)H NMR data are presented.

Nuclear magnetic resonance spectroscopy, Molecular dynamics, Hydrogen bonding, Thermal properties, Hydrates, NMR spectroscopy

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First principle study to correlate location and activity of ruthenium oxide incorporated in alkali-metal hexatitanates

Article Abstract:

The location and activity of ruthenium oxide is studied through ab initio total energy pseudopotential calculations. It is found that ruthenium oxide played an active role in photocatalysis.

Ruthenium, Chemistry, Physical and theoretical, Physical chemistry, Alkali metals, Structure, Chemical properties

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