Short‐range ordering in the Li‐rich disordered rock salt cathode material Li 2 VO 2 F revealed by Raman spectroscopy

Li‐rich disordered rock salt (DRS) materials are new promising high‐capacity cathode candidates for Li‐ion batteries. DRS structures were initially assumed to have a completely random cation and anion distribution, but recent reports suggest that some of these structures can exhibit local atomic arr...

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Bibliographic Details
Published in:Journal of Raman spectroscopy 2020-10, Vol.51 (10), p.2095-2101
Main Authors: Mozhzhukhina, Nataliia, Kullgren, Jolla, Baur, Christian, Gustafsson, Olof, Brant, William R., Fichtner, Maximilian, Brandell, Daniel
Format: Article
Language:English
Subjects:
anionic redox
DFT calculation
disordered rock salt
Li-ion battery
short-range ordering
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Summary:Li‐rich disordered rock salt (DRS) materials are new promising high‐capacity cathode candidates for Li‐ion batteries. DRS structures were initially assumed to have a completely random cation and anion distribution, but recent reports suggest that some of these structures can exhibit local atomic arrangements, or short‐range ordering (SRO). Here, we prove the existence of SRO in the Li‐rich DRS material Li 2 VO 2 F by employing Raman spectroscopy supported by density functional theory (DFT) calculations. Our results suggest that this combination of Raman spectroscopy with computational tools is useful for SRO estimation in this new class of Li‐rich DRS cathode materials.
ISSN:0377-0486
1097-4555
1097-4555
DOI:10.1002/jrs.5953