Article Na5/6[Ni1/3Mn1/6Fe1/6Ti1/3]O2 as an Optimized O3-Type Layered Oxide Positive Electrode Material for Sodium-Ion Batteries

Koichi Hashimoto ; Kei Kubota SAMURAI ORCID (National Institute for Materials Science) ; Ryoichi Tatara ; Tomooki Hosaka ; Shinichi Komaba

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Koichi Hashimoto, Kei Kubota, Ryoichi Tatara, Tomooki Hosaka, Shinichi Komaba. Na5/6[Ni1/3Mn1/6Fe1/6Ti1/3]O2 as an Optimized O3-Type Layered Oxide Positive Electrode Material for Sodium-Ion Batteries. Inorganic Chemistry. 2024, 63 (49), 23317-23327. https://doi.org/10.1021/acs.inorgchem.4c04001

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(abstract)

This study identified Na5/6[Ni1/3Mn1/6Fe1/6Ti1/3]O2 as an optimal composition for use as an O3-type positive electrode material in Na-ion batteries on the basis of a comprehensive phase diagram, where the end members of the triangular phase diagram were Na2/3[Ni1/32+Mn2/34+]O2, Na2/3[Ni1/32+Ti2/34+]O2, and the hypothetical composition Na4/3[Ni1/32+Fe2/33+]O2. By investigating the effects of the partial substitution of Mn4+ with Fe3+ and Ti4+ within the Na(2/3+x)[Ni1/3Mn(2/3−x−y)FexTiy]O2 system, we optimized the capacity, working potential, and cycle performance. Substitution with Fe enhanced the discharge capacity due to the increased Na+ content in the initial composition, although it also led to a reduced cycling stability derived from irreversible Fe migration to the Na layers. In contrast, substitution with Ti improved the working potential and cycling stability, although an excessive Ti content caused capacity degradation with cycling. We found that the O3-type Na5/6[Ni1/3Mn1/6Fe1/6Ti1/3]O2 demonstrated an excellent cycle stability with minimal capacity loss over 250 cycles, which was attributed to the suppression of irreversible transition metal migration.

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Keyword: Sodium-ion batteries, Positive electrode materials, Cathode materials, Sodium intercalation, Composition optimization, Layered oxides

Date published: 2024-12-09

Publisher: American Chemical Society (ACS)

Journal:

  • Inorganic Chemistry (ISSN: 1520510X) vol. 63 issue. 49 p. 23317-23327

Funding:

  • Ministry of Education, Culture, Sports, Science and Technology JPMXP1122712807
  • Core Research for Evolutional Science and Technology JPMJCR21O6
  • Precursory Research for Embryonic Science and Technology JPMJPR2374
  • Japan Society for the Promotion of Science 22K14772
  • Japan Society for the Promotion of Science 23K13829
  • Japan Society for the Promotion of Science 23K20280
  • Japan Society for the Promotion of Science 23K26386
  • Japan Society for the Promotion of Science 24H00042
  • Japan Science and Technology Agency JPMJAP2313
  • Japan Science and Technology Agency JPMJGX23S4
  • Japan Science and Technology Corporation

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1021/acs.inorgchem.4c04001

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Updated at: 2025-04-02 12:30:12 +0900

Published on MDR: 2025-04-02 18:09:42 +0900

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