Details
| Original language | English |
|---|---|
| Pages (from-to) | 15819-15827 |
| Number of pages | 9 |
| Journal | Journal of Materials Chemistry |
| Volume | 22 |
| Issue number | 31 |
| Publication status | Published - 21 Aug 2012 |
Abstract
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.
ASJC Scopus subject areas
- Chemistry(all)
- General Chemistry
- Materials Science(all)
- Materials Chemistry
Sustainable Development Goals
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In: Journal of Materials Chemistry, Vol. 22, No. 31, 21.08.2012, p. 15819-15827.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Synthesis of ternary transition metal fluorides Li 3MF 6via a sol-gel route as candidates for cathode materials in lithium-ion batteries
AU - Kohl, Julia
AU - Wiedemann, Dennis
AU - Nakhal, Suliman
AU - Bottke, Patrick
AU - Ferro, Noel
AU - Bredow, Thomas
AU - Kemnitz, Erhard
AU - Wilkening, Martin
AU - Heitjans, Paul
AU - Lerch, Martin
PY - 2012/8/21
Y1 - 2012/8/21
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84863914382&partnerID=8YFLogxK
U2 - 10.1039/c2jm32133e
DO - 10.1039/c2jm32133e
M3 - Article
AN - SCOPUS:84863914382
VL - 22
SP - 15819
EP - 15827
JO - Journal of Materials Chemistry
JF - Journal of Materials Chemistry
SN - 0959-9428
IS - 31
ER -