# Anion vacancies activate N2 to ammonia on Ba–Si orthosilicate oxynitride-hydride

https://mdr.nims.go.jp/datasets/25e41d2f-bc06-495a-8435-7c864b9339af

## File

- [Zhang - Anion vacancies activate N2 to ammonia on Ba–Si or.pdf](https://mdr.nims.go.jp/filesets/34f20c35-8f3f-4ea2-8875-c1ee89acb79b/download) ([Detail](https://mdr.nims.go.jp/filesets/34f20c35-8f3f-4ea2-8875-c1ee89acb79b.md))
- [41557_2025_1737_MOESM1_ESM.pdf](https://mdr.nims.go.jp/filesets/05b7d249-8568-4c01-8868-8e24b4afef54/download) ([Detail](https://mdr.nims.go.jp/filesets/05b7d249-8568-4c01-8868-8e24b4afef54.md))

## Id

25e41d2f-bc06-495a-8435-7c864b9339af

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-11-07T06:54:31.315385Z

## Updated at

2025-11-10T07:30:48.285674Z

## Published at

2025-11-10T07:25:02.765825Z

## Doi



## First published url

https://doi.org/10.1038/s41557-025-01737-8

## Date published

2025-02-17

## Recorded date published

2025-5

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Anion vacancies activate N2 to ammonia on Ba–Si orthosilicate oxynitride-hydride
  title_type: original
  lang: en

## Description

- description: Anion vacancies on metal oxide surfaces have been studied as either
    active sites or promoting sites in various chemical reactions involving oxidation/reduction
    processes. However, oxide materials rarely work effectively as catalysts in the
    absence of transition metal sites. Here we report a Ba–Si orthosilicate oxynitride–hydride
    as a transition-metal-free catalyst for efficient ammonia synthesis via an anion-vacancy-mediated
    mechanism. The facile desorption of H− and N3− anions plus the flexibility of
    the crystal structure can accommodate a high density of electrons at vacancy sites,
    where N2 can be captured and directly activated to ammonia through hydrogenation
    processes. The ammonia synthesis rates reach 40.1 mmol g−1 h−1 at 300 °C by loading
    ruthenium nanoparticles. Although not found to dissociate N2, Ru instead facilitates
    the formation of anion vacancies at the Ru–support interface. This demonstrates
    a new route for anion-vacancy-mediated heterogeneous catalysis.
  description_type: abstract
  lang: und

## Creator

- name: Zhujun Zhang
  role: author
- name: Kazuki Miyashita
  role: author
- name: Tong Wu
  role: author
- name: Jun Kujirai
  role: author
- name: Kiya Ogasawara
  role: author
- name: Jiang Li
  role: author
- name: Yihao Jiang
  role: author
- name: Masayoshi Miyazaki
  role: author
- name: Satoru Matsuishi
  role: author
  orcid: https://orcid.org/0000-0001-8905-0255
  organization: National Institute for Materials Science
- name: Masato Sasase
  role: author
- name: Tomofumi Tada
  role: author
- name: Hideo Hosono
  role: author
  orcid: https://orcid.org/0000-0001-9260-6728
  organization: National Institute for Materials Science
- name: Masaaki Kitano
  role: author

## Contact agent



## Publisher

organization: Springer Science and Business Media LLC

## Managing organization



## Keyword

- subject: catalyst
  schema: not_defined
- subject: ammonia synthesis
  schema: not_defined
- subject: hydride
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Nature Chemistry
  issn: '17554349'
  volume: '17'
  start_page: 679
  end_page: 687

## Conference



## Related item



## Funding

- identifier: JPMJFR203A
  funder_name: Japan Science and Technology Agency
  description: FOREST Program
- identifier: JP22H00272
  funder_name: JSPS
  description: Kakenhi Grants-in-Aid
- identifier: JP24H02203
  funder_name: JSPS
  description: Kakenhi Grants-in-Aid
- identifier: JPH02204
  funder_name: JSPS
  description: Kakenhi Grants-in-Aid
- identifier: JPMJMI21E9
  funder_name: Japan Science and Technology Agency
  description: JST-Mirai Program
- identifier: JPNP21012
  funder_name: NEDO
- identifier: JP21F21032
  funder_name: JSPS
  description: JSPS fellowship for International Research Fellows

## 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: 34f20c35-8f3f-4ea2-8875-c1ee89acb79b
  filename: Zhang - Anion vacancies activate N2 to ammonia on Ba–Si or.pdf
  content_type: application/pdf
  size: 2908183
  md5: 5cb65d20e351bf370eae1ad894f9eda4
- id: 05b7d249-8568-4c01-8868-8e24b4afef54
  filename: 41557_2025_1737_MOESM1_ESM.pdf
  content_type: application/pdf
  size: 3905307
  md5: 1e722137d0535bd78bdd3cc92a9a2441

## Thumbnail

fileset_id: 34f20c35-8f3f-4ea2-8875-c1ee89acb79b
filename: Zhang - Anion vacancies activate N2 to ammonia on Ba–Si or.pdf