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Main Title: Synthesis of ternary transition metal fluorides Li3MF6 via a sol-gel route as candidates for cathode materials in lithium-ion batteries
Author(s): Kohl, Julia
Wiedemann, Dennis
Nakhal, Suliman
Bottke, Patrick
Ferro, Noel
Bredow, Thomas
Kemnitz, Erhard
Wilkening, Martin
Heitjans, Paul
Lerch, Martin
Type: Article
Abstract: 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. 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 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.
Issue Date: 2012
Date Available: 28-Jun-2016
Language Code: en
DDC Class: 540 Chemie und zugeordnete Wissenschaften
530 Physik
Sponsor/Funder: BMBF, 03X4612I, LiB2015: Helion - Hochenergie-Lithiumionen-Batterien für die Zukunft
Journal Title: Journal of materials chemistry
Publisher: Royal Society of Chemistry
Volume: 22
Issue: 31
Publisher DOI: 10.1039/c2jm32133e
Page Start: 15819
Page End: 15827
EISSN: 0959-9428
Notes: Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.
This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.
TU Affiliation(s): Fak. 2 Mathematik und Naturwissenschaften » Inst. Chemie
Appears in Collections:Technische Universität Berlin » Publications

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