期刊
JOURNAL OF MATERIALS CHEMISTRY
卷 22, 期 31, 页码 15819-15827出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2jm32133e
关键词
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资金
- German Ministry of Education and Research (BMBF) within the LIB initiative
- Deutsche Forschungsgemeinschaft (DFG)
A sol-gel route for ternary lithium fluorides of transition metals (M) is presented allowing the synthesis of Li3MF6-type and Li2MF5-type compounds. It is based on a fluorolytic process using transition metal acetylacetonates as precursors. The domain size of the obtained powders can be controlled by modifying the conditions of synthesis. Li-6 and Li-7 magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is used to study local environments of the Li ions in orthorhombic and monoclinic Li3VF6 as well as Li2MnF5. The number of magnetically inequivalent Li sites found by MAS NMR is in agreement with the respective crystal structure of the compounds studied. Quantum chemical calculations show that all materials have high de-lithiation energies making them suitable candidates to be used as high-voltage battery cathode materials.
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