# Na<sub>5/6</sub>[Ni<sub>1/3</sub>Mn<sub>1/6</sub>Fe<sub>1/6</sub>Ti<sub>1/3</sub>]O<sub>2</sub> as an Optimized O3-Type Layered Oxide Positive Electrode Material for Sodium-Ion Batteries

https://mdr.nims.go.jp/datasets/23014a8d-ca38-4a90-9ce8-ad453716b6f4

## File

- [hashimoto-et-al-2024-na5-6-ni1-3mn1-6fe1-6ti1-3-o2-as-an-optimized-o3-type-layered-oxide-positive-electrode-material (2).pdf](https://mdr.nims.go.jp/filesets/1198f114-c3dc-4585-88ad-3b2aedd28309/download) ([Detail](https://mdr.nims.go.jp/filesets/1198f114-c3dc-4585-88ad-3b2aedd28309.md))

## Id

23014a8d-ca38-4a90-9ce8-ad453716b6f4

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-04-02T00:22:30.307556Z

## Updated at

2025-04-02T03:30:12.256526Z

## Published at

2025-04-02T09:09:42.597333Z

## Doi



## First published url

https://doi.org/10.1021/acs.inorgchem.4c04001

## Date published

2024-12-09

## Recorded date published

2024-12-9

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Na<sub>5/6</sub>[Ni<sub>1/3</sub>Mn<sub>1/6</sub>Fe<sub>1/6</sub>Ti<sub>1/3</sub>]O<sub>2</sub>
    as an Optimized O3-Type Layered Oxide Positive Electrode Material for Sodium-Ion
    Batteries
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: und

## Creator

- name: Koichi Hashimoto
  role: author
- name: Kei Kubota
  role: author
  orcid: https://orcid.org/0000-0001-8941-3650
  organization: National Institute for Materials Science
- name: Ryoichi Tatara
  role: author
- name: Tomooki Hosaka
  role: author
- name: Shinichi Komaba
  role: author

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Sodium-ion batteries
  schema: not_defined
- subject: Positive electrode materials
  schema: not_defined
- subject: Cathode materials
  schema: not_defined
- subject: Sodium intercalation
  schema: not_defined
- subject: Composition optimization
  schema: not_defined
- subject: Layered oxides
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Inorganic Chemistry
  issn: 1520510X
  volume: '63'
  issue: '49'
  start_page: 23317
  end_page: 23327

## Conference



## Related item



## Funding

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

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 1198f114-c3dc-4585-88ad-3b2aedd28309
  filename: hashimoto-et-al-2024-na5-6-ni1-3mn1-6fe1-6ti1-3-o2-as-an-optimized-o3-type-layered-oxide-positive-electrode-material
    (2).pdf
  content_type: application/pdf
  size: 7000603
  md5: 5ae8bcf409d6ae3eb10b2454701df9ed

## Thumbnail

fileset_id: 1198f114-c3dc-4585-88ad-3b2aedd28309
filename: hashimoto-et-al-2024-na5-6-ni1-3mn1-6fe1-6ti1-3-o2-as-an-optimized-o3-type-layered-oxide-positive-electrode-material
  (2).pdf