# Different Local Structures of Mo and Nb Polyhedra in the Oxide-Ion-Conducting Hexagonal Perovskite-Related Oxide Ba<sub>3</sub>MoNbO<sub>8.5</sub> Revealed by <sup>95</sup>Mo and <sup>93</sup>Nb NMR Measurements

https://mdr.nims.go.jp/datasets/f18cccdb-dc90-4e12-a4e5-4af8f9b9d55a

## File

- [Tansho_Main_Article_revised_20220706_cleaned_2.pdf](https://mdr.nims.go.jp/filesets/f7ae4282-76d6-4f7a-a8f3-68674b485742/download) ([Detail](https://mdr.nims.go.jp/filesets/f7ae4282-76d6-4f7a-a8f3-68674b485742.md))

## Id

f18cccdb-dc90-4e12-a4e5-4af8f9b9d55a

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-02-27T03:35:04.693885Z

## Updated at

2024-12-23T00:18:21.358509Z

## Published at

2024-12-23T03:30:34.023322Z

## Doi

https://doi.org/10.48505/nims.4417

## First published url

https://doi.org/10.1021/acs.jpcc.2c03429

## Date published

2022-08-11

## Recorded date published

2022-8-11

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Different Local Structures of Mo and Nb Polyhedra in the Oxide-Ion-Conducting
    Hexagonal Perovskite-Related Oxide Ba<sub>3</sub>MoNbO<sub>8.5</sub> Revealed
    by <sup>95</sup>Mo and <sup>93</sup>Nb NMR Measurements
  title_type: original
  lang: en

## Description

- description: The oxide-ion conductor Ba3MoNbO8.5, the oxide-ion and proton conductor
    Ba7Nb4MoO20, and their hexagonal perovskite-related oxides are important groups
    of materials because of their high ionic conductivity. The structure of the ion-conducting
    layer of these materials has not been clarified because of their complex structure
    and the difficulty in distinguishing between Mo and Nb. In this study, we separately
    detected 95Mo and 93Nb by solid-state nuclear magnetic resonance (NMR) measurements
    to directly observe the Mo/Nb coordination in the high-oxide-ion conductor Ba3MoNbO8.5.
    The results showed that the number of revealed peaks was different for 93Nb and
    95Mo. For the two chemical shifts from 93Nb NMR, the more intense peak was attributed
    to a NbO6 octahedron in the conducting layer, while the less intense peak was
    ascribed to a NbO4 tetrahedron in the conducting layer or a NbO6 octahedron in
    the nonconducting layer. Four peaks were observed in the 95Mo NMR of the 95Mo-enriched
    sample. One peak was attributed to the MoO6 octahedron in the nonconducting layer.
    The other three peaks attributed to the conducting layer were only interpreted
    by assigning either one or two of them to the MoO5 polyhedra, which are speculated
    to play an important role in ionic conduction. Presumably, these are the first
    results supporting the presence of MoO5 in the ion-conducting layer of oxide-ion
    conductors, and Mo likely plays an important role in ionic conduction. The analysis
    of the local structure of Mo and Nb oxide polyhedra by NMR is an important tool
    for understanding the nature of ionic conduction because it provides element-independent
    information. It is therefore expected to contribute to the further development
    of oxide-ion conductors.
  description_type: abstract
  lang: en

## Creator

- name: Masataka Tansho
  role: author
  orcid: https://orcid.org/0000-0001-7986-3199
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Atsushi Goto
  role: author
  orcid: https://orcid.org/0000-0002-9472-4098
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Shinobu Ohki
  role: author
  orcid: https://orcid.org/0000-0002-7357-3833
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Yuuki Mogami
  role: author
  orcid: https://orcid.org/0000-0002-9807-3165
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Yuichi Sakuda
  role: author
- name: Yuta Yasui
  role: author
- name: Taito Murakami
  role: author
- name: Kotaro Fujii
  role: author
- name: Takahiro Iijima
  role: author
- name: Masatomo Yashima
  role: author

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Fuel Cell
  schema: not_defined
- subject: Gas Sensor
  schema: not_defined
- subject: Oxygen Separation
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in The Journalof Physical Chemistry C, copyright ©
    2022 American Chemical Society after peer review and technical editing by the
    publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpcc.2c03429
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: The Journal of Physical Chemistry C
  issn: '19327447'
  volume: '126'
  issue: '31'
  start_page: 13284
  end_page: 13290

## Conference



## Related item



## Funding

- identifier: JPMXP09A19NM0110
  funder_name: Ministry of Education, Culture, Sports, Science and Technology

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



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## Fileset

- id: f7ae4282-76d6-4f7a-a8f3-68674b485742
  filename: Tansho_Main_Article_revised_20220706_cleaned_2.pdf
  content_type: application/pdf
  size: 632413
  md5: 5babf3a18a6ffb0315251455b84cb05e

## Thumbnail

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filename: Tansho_Main_Article_revised_20220706_cleaned_2.pdf