Elucidating the electrochemical reaction mechanism of lithium-rich antiperovskite cathodes for lithium-ion batteries as exemplified by (Li2Fe)SeO

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Abstract
We report in the context of lithium-rich antiperovskite cathode materials outstanding electrochemical properties of (Li2Fe)SeO, which for the first time was synthesized via direct ball-milling. The unique structured material displays an electrochemical cycling performance of 250 mA h g−1 at 0.1C when used as a cathode in lithium-ion batteries. Comprehensive electrochemical analysis combined with detailed transmission electron microscopy studies reveal that, above 2.5 V, the multi electron storage mechanism involves conversion of (Li2Fe)SeO to Fe1−xSex. Our results furthermore demonstrate the general relevance of our findings to the whole class of antiperovskite cathode materials and present a route to strongly enhance their cell performance by avoiding the degradation path deciphered by our studies.
Funding Information
  • Bundesministerium für Forschung, Technologie und Raumfahrt (13XP5088)
  • Deutsche Forschungsgemeinschaft (GR 5987/2-1, KL 1824/20-1)

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