Disordered rocksalt (DRX) is a new family of cathode material with all the cations (TM and Li) randomly distributed. This allows more flexibility in ion selection during material design, and it is believed to be a more stable phase than traditional layered structure or spinel. Experimental results showed that partially substituting oxide with fluoride in DRX can greatly improve the performance of the cathode, including better energy density, average voltage, capacity retention, and what is more importantly, can effectively mitigate the O<sub>2</sub> gas release, but the effect of F is not fully understand. Here, we present a series of studies, both experimentally and computationally, and propose the role of fluoride from multiple perspectives.

Understand the role of fluorination in disordered rocksalt (DRX) battery cathode materials

ACS Fall 2021

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