# Crystal Structure Regulation of CoSe<sub>2</sub> Induced by Fe Dopant for Promoted Surface Reconstitution toward Energetic Oxygen Evolution Reaction

https://mdr.nims.go.jp/datasets/89c51bf4-5a90-41f3-a34f-e5cb6a529ccc

## File

- [Chen_ACS-Manuscript-Accepted.pdf](https://mdr.nims.go.jp/filesets/49fa7b03-6abf-4b97-9a48-c45eefd8a4a7/download) ([Detail](https://mdr.nims.go.jp/filesets/49fa7b03-6abf-4b97-9a48-c45eefd8a4a7.md))

## Id

89c51bf4-5a90-41f3-a34f-e5cb6a529ccc

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-06-13T23:51:22.873391Z

## Updated at

2025-04-14T07:30:42.322602Z

## Published at

2025-04-14T05:56:25.014098Z

## Doi

https://doi.org/10.48505/nims.4540

## First published url

https://doi.org/10.1021/acs.inorgchem.4c00568

## Date published

2024-04-22

## Recorded date published

2024-4-22

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Crystal Structure Regulation of CoSe<sub>2</sub> Induced by Fe Dopant for
    Promoted Surface Reconstitution toward Energetic Oxygen Evolution Reaction
  title_type: original
  lang: en

## Description

- description: Most nonoxide catalysts based on transition metal elements will inevitably
    change their primitive phases under anodicoxidation conditions in alkaline media.
    Establishing a relationship between the bulk phase and surface evolution is imperative
    toreveal the intrinsic catalytic active sites. In this work, it is demonstrated
    that the introduction of Fe facilitates the phase transition oforthorhombic CoSe2
    into its cubic counterpart and then accelerates the Co−Fe hydroxide layer generation
    on the surface duringelectrocatalytic oxygen evolution reaction (OER). As a result,
    the Fe-doped cubic CoSe2 catalyst exhibits a significantly enhancedactivity with
    a considerable overpotential decrease of 79.9 and 66.9 mV to deliver 10 mA·cm−2
    accompanied by a Tafel slope of 48.0mV·dec−1 toward OER when compared to orthorhombic
    CoSe2 and Fe-doped orthorhombic CoSe2, respectively. Density functionaltheory
    (DFT) calculations reveal that the introduction of Fe on the surface hydroxide
    layers will tune electron density around Coatoms and raise the d-band center.
    These findings will provide deep insights into the surface reconstitution of the
    OER　electrocatalysts based on transition metal elements.
  description_type: abstract
  lang: und

## Creator

- name: Shuo Chen
  role: author
- name: Kaiqin Yue
  role: author
- name: Jiawei Shi
  role: author
- name: Zhicheng Zheng
  role: author
- name: Yuanqing He
  role: author
  orcid: https://orcid.org/0000-0003-2417-4710
- name: Hao Wan
  role: author
  orcid: https://orcid.org/0000-0002-4487-3538
- name: Gen Chen
  role: author
- name: Ning Zhang
  role: author
  orcid: https://orcid.org/0000-0002-3033-0276
- name: Xiaohe Liu
  role: author
  orcid: https://orcid.org/0000-0003-1297-9597
- name: Renzhi Ma
  role: author
  orcid: https://orcid.org/0000-0001-7126-2006

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Oxygen evolution reaction
  schema: not_defined
- subject: Electrocatalysis
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in Inorganic Chemistry, copyright © 2024 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.inorgchem.4c00568
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-04-12
end_date: 2025-04-12

## Journal

- title: Inorganic Chemistry
  issn: '00201669'
  volume: '63'
  issue: '16'
  start_page: 7430
  end_page: 7441

## Conference



## Related item



## Funding

- identifier: 2019JJ10006
  funder_name: Natural Science Foundation of Hunan Province
- identifier: '51874357'
  funder_name: National Natural Science Foundation of China
- identifier: U20A20123
  funder_name: National Natural Science Foundation of China
- identifier: '32340398'
  funder_name: Youth Talent Program of Zhengzhou University
- identifier: GJJSGFYQ202336
  funder_name: Zhongyuan Critical Metals Laboratory

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## Fileset

- id: 49fa7b03-6abf-4b97-9a48-c45eefd8a4a7
  filename: Chen_ACS-Manuscript-Accepted.pdf
  content_type: application/pdf
  size: 3054873
  md5: 036ca067618b3cf957563dd08e88fd46

## Thumbnail

fileset_id: 49fa7b03-6abf-4b97-9a48-c45eefd8a4a7
filename: Chen_ACS-Manuscript-Accepted.pdf