# Modulating Redox Pathways in Manganese-Based Disordered Rocksalt Cathodes via Molybdenum Incorporation

https://mdr.nims.go.jp/datasets/bad06e6a-a228-4b7a-af7c-0b083c8c7539

## File

- [Chem. Mater. 2026, 38, 5579-5587.pdf](https://mdr.nims.go.jp/filesets/619ec4a1-2fd9-489a-b0da-a45c1bac148e/download) ([Detail](https://mdr.nims.go.jp/filesets/619ec4a1-2fd9-489a-b0da-a45c1bac148e.md))

## Id

bad06e6a-a228-4b7a-af7c-0b083c8c7539

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-07-09T09:14:45.653206Z

## Updated at

2026-07-10T01:06:40.940970Z

## Published at

2026-07-10T03:26:36.870815Z

## Doi



## First published url

https://doi.org/10.1021/acs.chemmater.6c00304

## Date published

2026-06-09

## Recorded date published

2026-6-9

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Modulating Redox Pathways in Manganese-Based Disordered Rocksalt Cathodes
    via Molybdenum Incorporation
  title_type: original
  lang: en

## Description

- description: "Cation-disordered rocksalt oxides offer broad compositional flexibility
    and high theoretical capacities, but their electrochemical performance is often
    limited by uncontrolled competition between transition-metal and oxygen redox
    processes. In particular, controlling the balance between Mn and O redox activity
    remains a key challenge in Mn-based disordered oxides.\r\nHere, a previously unexplored
    compositional space in the Li–Mn–Mo–O system is investigated, revealing that Mo
    incorporation systematically alters the electronic structure and redox behavior
    of Mn-based disordered rocksalt oxides. Mo doping lowers the average Mn oxidation
    state, thereby stabilizing a Mn-dominated charge compensation mechanism. Combined
    spectroscopic characterization and first-principles calculations reveal a shift
    in charge compensation from oxygen-centered to Mn-centered redox processes with
    Mo doping. As a result, Li1.25Mn0.5Mo0.25O2 delivers a reversible capacity exceeding
    300 mAh g−¹ with enhanced electrochemical stability. \r\nThese findings demonstrate
    that targeted compositional and electronic-structure modulation enables effective
    control of redox pathways in cation-disordered oxides and offers design principles
    for stable, high-capacity Mn-based cathode materials."
  description_type: abstract
  lang: und

## Creator

- name: Marcela Calpa
  role: author
  orcid: https://orcid.org/0000-0003-4934-4595
- name: Randy Jalem
  role: author
  orcid: https://orcid.org/0000-0001-9505-771X
- name: Taiga Ozawa
  role: author
- name: Minako Nishioka
  role: author
- name: Anna Myojin
  role: author
- name: Gen Hasegawa
  role: author
  orcid: https://orcid.org/0000-0002-9297-6902
- name: Naoaki Kuwata
  role: author
  orcid: https://orcid.org/0000-0002-0736-6967
- name: Shoichi Matsuda
  role: author
  orcid: https://orcid.org/0000-0002-0640-3404
- name: Kei Kubota
  role: author
  orcid: https://orcid.org/0000-0001-8941-3650
- name: Kazunori Takada
  role: author
  orcid: https://orcid.org/0000-0001-7568-1806

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Manganese-Based Disordered Rocksalt Cathodes
  schema: not_defined
- subject: Li-rich cathode materials
  schema: not_defined
- subject: Cathode materials for Solid-state batteries
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Chemistry of Materials
  issn: '08974756'
  volume: '38'
  issue: '11'
  start_page: 5579
  end_page: 5587

## Conference



## Related item



## Funding

- identifier: JPMXP0219207397
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP21K14729
  funder_name: Japan Society for the Promotion of Science
- identifier: JPMJGX23S2
  funder_name: Japan Science and Technology Agency

## 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



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## Fileset

- id: 619ec4a1-2fd9-489a-b0da-a45c1bac148e
  filename: Chem. Mater. 2026, 38, 5579-5587.pdf
  content_type: application/pdf
  size: 5166288
  md5: 9629353485947a701438ec8e4687b7ae

## Thumbnail

fileset_id: 619ec4a1-2fd9-489a-b0da-a45c1bac148e
filename: Chem. Mater. 2026, 38, 5579-5587.pdf