Localization of vacancies and mobility of lithium ions in Li2ZrO3 as obtained by 6,7Li NMR
| Autor: | L. G. Maksimova, Ya. V. Baklanova, A. Gerashenko, A. L. Buzlukov, I. Yu. Arapova, K. N. Mikhalev, I. R. Shein, Т.А. Denisova, S. V. Verkhovskii |
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| Rok vydání: | 2013 |
| Předmět: |
Chemistry
Diffusion Spin–lattice relaxation Analytical chemistry chemistry.chemical_element Charge density Activation energy Condensed Matter Physics Electronic Optical and Magnetic Materials Ion Inorganic Chemistry NMR spectra database Nuclear magnetic resonance Materials Chemistry Ceramics and Composites Lithium Physical and Theoretical Chemistry Spectroscopy |
| Zdroj: | Journal of Solid State Chemistry. 208:43-49 |
| ISSN: | 0022-4596 |
| DOI: | 10.1016/j.jssc.2013.09.030 |
| Popis: | The 6,7Li NMR spectra and the 7Li spin–lattice relaxation rate were measured on polycrystalline samples of Li2ZrO3, synthesized at 1050 K and 1300 K. The 7Li NMR lines were attributed to corresponding structural positions of lithium Li1 and Li2 by comparing the EFG components with those obtained in the first-principles calculations of the charge density in Li2ZrO3. For both samples the line width of the central 7Li transition and the spin–lattice relaxation time decrease abruptly at the temperature increasing above ~500 K, whereas the EFG parameters are averaged (〈νQ〉=42 (5) kHz) owing to thermally activated diffusion of lithium ions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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