# Relationship between network topology and negative electrode properties in Wadsley–Roth phase TiNb2O7

https://mdr.nims.go.jp/datasets/7ee3b4e5-745d-40d0-8d54-8f68f4dd3392

## File

- [s41427-024-00581-5.pdf](https://mdr.nims.go.jp/filesets/fc54034f-e885-412e-82a3-e69f6eddea6b/download) ([Detail](https://mdr.nims.go.jp/filesets/fc54034f-e885-412e-82a3-e69f6eddea6b.md))

## Id

7ee3b4e5-745d-40d0-8d54-8f68f4dd3392

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-12-16T23:45:27.698230Z

## Updated at

2024-12-18T07:30:39.542154Z

## Published at

2024-12-18T07:30:39.650664Z

## Doi



## First published url

https://doi.org/10.1038/s41427-024-00581-5

## Date published

2024-12-10

## Recorded date published



## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Relationship between network topology and negative electrode properties in
    Wadsley–Roth phase TiNb2O7
  title_type: original
  lang: en

## Description

- description: "Wadsley–Roth phase TiNb2O7 with an octahedral network consisting of
    TiO6 and NbO6 has\r\nattracted significant attention as a negative electrode material
    of lithium ion batteries in recent\r\nyears owing to its high safety and high
    discharge capacity. In this article, we investigated the\r\neffect of the network
    structure (intermediate-range structure), which is considered to form Li+\r\nconduction
    pathways, on the electrode properties of TiNb2O7. To this end, we prepared TiNb2O7\r\nsamples
    with different charge/discharge properties, and generated the atomic configurations
    that\r\nsimultaneously reproduce both total scattering and Bragg profile data.
    Topological analyses based\r\non persistent homology demonstrated that the network
    disorder hidden in the average structure\r\n(crystal structure) degrades significantly
    the negative electrode properties. In conclusion,\r\ncontrolling the network topology
    is considered as the key to improving the negative electrode\r\nproperties of
    TiNb2O7."
  description_type: abstract
  lang: und

## Creator

- name: Naoto Kitamura
  role: author
- name: Hikari Matsubara
  role: author
- name: Koji Kimura
  role: author
- name: Ippei Obayashi
  role: author
- name: Yohei Onodera
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Ken Nakashima
  role: author
- name: Hidetoshi Morita
  role: author
- name: Motoki Shiga
  role: author
  orcid: https://orcid.org/0000-0003-2434-4716
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Yasuhiro Harada
  role: author
- name: Chiaki Ishibashi
  role: author
- name: Yasushi Idemoto
  role: author
- name: Koichi Hayashi
  role: author

## Contact agent



## Publisher

organization: Springer Science and Business Media LLC

## Managing organization



## Keyword

- subject: lithium-ion batteries
  schema: not_defined
- subject: persistent homology
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: NPG Asia Materials
  issn: '18844049'
  volume: '16'
  article_number: '62'

## Conference



## Related item



## Funding

- identifier: 20H05880
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05881
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05884
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 19KK0068
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05881
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05884
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05884
  funder_name: MEXT | Japan Society for the Promotion of Science
- identifier: 20H05881
  funder_name: MEXT | Japan Society for the Promotion of Science

## 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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## Custom property



## Fileset

- id: fc54034f-e885-412e-82a3-e69f6eddea6b
  filename: s41427-024-00581-5.pdf
  content_type: application/pdf
  size: 4898401
  md5: 70138365f7e12b62a35d39a377863c9c

## Thumbnail

fileset_id: fc54034f-e885-412e-82a3-e69f6eddea6b
filename: s41427-024-00581-5.pdf