23Na NMR in binary lithium-sodium cobaltite |
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| Authors: | D. G. Kellerman N. A. Zhuravlev A. S. Semenova I. R. Shein M. V. Kuznetsov |
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| Affiliation: | 1.Institute of Solid State Chemistry, Urals Branch,Russian Academy of Sciences,Yekaterinburg,Russia |
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| Abstract: | Li0.48Na0.35CoO2 lithium-sodium cobaltite was studied by means of wide-line 23Na and 7Li NMR. A series of quantum-chemical calculations allowed to us determine the optimum positions of Li and Na atoms, to construct a map of the densities of electronic states near the Fermi level, and to estimate the electric field gradient on the Na nuclei. The results from these calculations are compared with experimental data from NMR and X-ray photoelectron spectroscopy |
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