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1.
J Chem Phys ; 146(16): 164703, 2017 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-28456187

RESUMO

An experimental study of the electronic structure of VxTi1-xSe2 system in a wide range of vanadium concentrations (x = 0.06-0.9) using x-ray photoelectron spectroscopy and resonant photoelectron spectroscopy has been performed. The partial charge transfer from the VSe2 to TiSe2 structural fragments is experimentally observed, and the most part of the charge is localized on the vanadium atoms in the VSe2 structural fragments.

2.
Phys Chem Chem Phys ; 19(6): 4500-4506, 2017 Feb 08.
Artigo em Inglês | MEDLINE | ID: mdl-28120962

RESUMO

The electronic structure of the NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states. The increase in the covalent component of the chemical bond of Ni and Ti with the nearest neighbour was found with increasing nickel concentration and its ordering. A significant charge transfer from the Ni atoms to the host lattice resulting in the transformation of Ti4+ into Ti3+ occurs, while the symmetry of the crystal lattice is lowered from the hexagonal to the monoclinic one.

3.
J Chem Phys ; 144(7): 074702, 2016 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-26896994

RESUMO

An experimental study of the electronic structure of copper intercalated titanium dichalcogenides in a wide range of copper concentrations (x = 0.04-0.8) using x-ray photoelectron spectroscopy, resonant photoelectron spectroscopy, and x-ray absorption spectroscopy has been performed. Shift towards low energies of the Ti 2p and Se 3d core level spectra and a corresponding decrease in the photon energy of Ti 2p absorption spectra with the increase in copper concentration have been found. These sign-anomalous shifts may be explained by the shielding effect of the corresponding atomic shells as a result of the dynamic charge transfer during the formation of a covalent chemical bond between the copper atoms and the TiSe2 matrix.

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