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Short-range ordering in the Li-rich disordered rock salt cathode material Li$_{2}$VO$_{2}$F revealed by Raman spectroscopy

Mozhzhukhina, N.; Kullgren, J.; Baur, C.; Gustafsson, O.; Brant, W. R.; Fichtner, M.; Brandell, D.

Abstract:
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.

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Verlagsausgabe §
DOI: 10.5445/IR/1000122976
Veröffentlicht am 08.09.2020
Cover der Publikation
Zugehörige Institution(en) am KIT Helmholtz-Institut Ulm (HIU)
Institut für Nanotechnologie (INT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2020
Sprache Englisch
Identifikator ISSN: 0377-0486, 1097-4555
KITopen-ID: 1000122976
HGF-Programm 37.01.01 (POF III, LK 01) Fundamentals and Materials
Erschienen in Journal of Raman spectroscopy
Verlag Wiley
Vorab online veröffentlicht am 24.07.2020
Nachgewiesen in Web of Science
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Scopus
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