Synthesis of ternary transition metal fluorides Li3MF6via a sol–gel route as candidates for cathode materials in lithium-ion batteries
Copyright policy )Synthesis of ternary transition metal fluorides Li3MF6via a sol–gel route as candidates for cathode materials in lithium-ion batteries
A sol-gel route for ternary lithium fluorides of transition metals (M) is presented allowing the synthesis of Li 3MF 6-type and Li 2MF 5-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. 6Li and 7Li magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is used to study local environments of the Li ions in orthorhombic and monoclinic Li 3VF 6 as well as Li 2MnF 5. 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. © 2012 The Royal Society of Chemistry.
- University of Bonn Germany
- Technical University of Berlin Germany
- Graz University of Technology Austria
- Technical University of Berlin Germany
- Humboldt-Universität zu Berlin Germany
Dewey Decimal Classification::500 | Naturwissenschaften::540 | Chemie, Cathodes, Cathode materials, High-voltages, Metal acetylacetonates, Local environments, Domain size, De-lithiation, Lithium fluoride, Lithium-ion battery, Quantum chemical calculations, Sol-gel process, Nuclear magnetic resonance spectroscopy, Lithium compounds, Transition metals, 530 Physik, Magic angle spinning, 540 Chemie und zugeordnete Wissenschaften, MAS NMR, Quantum chemistry, Transition metal compounds, Sol-gel routes, Transition metal fluorides
Dewey Decimal Classification::500 | Naturwissenschaften::540 | Chemie, Cathodes, Cathode materials, High-voltages, Metal acetylacetonates, Local environments, Domain size, De-lithiation, Lithium fluoride, Lithium-ion battery, Quantum chemical calculations, Sol-gel process, Nuclear magnetic resonance spectroscopy, Lithium compounds, Transition metals, 530 Physik, Magic angle spinning, 540 Chemie und zugeordnete Wissenschaften, MAS NMR, Quantum chemistry, Transition metal compounds, Sol-gel routes, Transition metal fluorides
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