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The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes. | LitMetric

The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes.

ACS Energy Lett

Materials Department and Materials Research Laboratory, University of California-Santa Barbara, Santa Barbara, California 93106, United States.

Published: June 2024

AI Article Synopsis

Article Abstract

Disordered rocksalt oxide (DRX) cathodes are promising candidates for next-generation Co- and Ni-free Li-ion batteries. While fluorine substitution for oxygen has been explored as an avenue to enhance their performance, the amount of fluorine incorporated into the DRX structure is particularly challenging to quantify and impedes our ability to relate fluorination to electrochemical performance. Herein, an experimental-computational method combining Li and F solid-state nuclear magnetic resonance, and cluster expansion Monte Carlo simulations, is developed to determine the composition of DRX oxyfluorides. Using this method, the synthesis of Mn- and Ti-containing DRX via standard high temperature sintering and microwave heating is optimized. Further, the upper fluorination limit attainable using each of these two synthesis routes is established for various Mn-rich DRX compounds. A comparison of their electrochemical performance reveals that the capacity and capacity retention mostly depend on the Mn content, while fluorination plays a secondary role.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11190981PMC
http://dx.doi.org/10.1021/acsenergylett.4c01075DOI Listing

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