Short-range ordering in the Li-rich disordered rock salt cathode material Li2VO2F revealed by Raman spectroscopy

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 Li2VO2F 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.