# Superior Performance and Catalytic Mechanism of an Icosahedral Quasicrystal Al‐Cu‐Fe in CO                    <sub>2</sub>                    Reduction to CO

https://mdr.nims.go.jp/datasets/9ebc5a50-eda0-4e7d-aec5-cb0c8faf73b2

## File

- [ChemSusChem - 2025 - Jin - Superior Performance and Catalytic Mechanism of an Icosahedral Quasicrystal Al‐Cu‐Fe in CO2 (2).pdf](https://mdr.nims.go.jp/filesets/4071ab78-d75b-4489-97ee-cde706c99249/download) ([Detail](https://mdr.nims.go.jp/filesets/4071ab78-d75b-4489-97ee-cde706c99249.md))

## Id

9ebc5a50-eda0-4e7d-aec5-cb0c8faf73b2

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-12-17T07:09:05.020731Z

## Updated at

2025-12-19T07:30:52.371472Z

## Published at

2025-12-19T05:11:47.642577Z

## Doi



## First published url

https://doi.org/10.1002/cssc.202501424

## Date published

2025-12-13

## Recorded date published

2025-12-13

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: |-
    Superior Performance and Catalytic Mechanism of an Icosahedral Quasicrystal Al‐Cu‐Fe in CO
                        <sub>2</sub>
                        Reduction to CO
  title_type: original
  lang: en

## Description

- description: Dissimilar to long-range periodic crystals, quasicrystals feature long-range
    aperiodicorder and non-crystallographic rotational symmetry. These structural
    peculiarities andcomplexities endow it with unique properties and untold research
    values, together withsignificant challenges in decoding the structure-property
    relationship. Here weinvestigate the application of icosahedral quasicrystal (iQC)
    Al63Cu25Fe12 as a high-performance catalyst for reducing CO2 to CO, known as the
    reverse water-gas shift(RWGS) reaction, which is a key reaction for producing
    useful chemicals. Comparedwith the samples with similar compositions but different
    structures, it shows superiorCO₂ conversion rate and CO selectivity. Combined
    with density functional theory (DFT)calculations, the origin of the high catalytic
    activity of iQC Al63Cu25Fe12 has beendeciphered. It is found that for the approximant
    crystal of the quasicrystal, the reactiontends to occur near the icosahedral cluster.
    Compared to other control groups, itexhibits much lower reaction barriers during
    CO2 reduction to CO. This demonstratesthat the high catalytic performance of iQC
    Al63Cu25Fe12 stems from its internally richicosahedral cluster content. Our research
    exemplifies the potential of quasicrystals inthe field of catalysis and sheds
    light on the structure-property relationship of complexstructures.
  description_type: abstract
  lang: und

## Creator

- name: Huixin Jin
  role: author
- name: Wenyang Zhang
  role: author
  orcid: https://orcid.org/0000-0001-7957-0708
- name: Haruka Yoshikawa
  role: author
- name: Asuka Ishikawa
  role: author
- name: Farid Labib
  role: author
- name: Boya Zhang
  role: author
- name: Jintao Zhou
  role: author
- name: Rongkai Kang
  role: author
- name: Jingyu Qin
  role: author
- name: Jianxin Zhang
  role: author
- name: Ya Xu
  role: author
  orcid: https://orcid.org/0000-0001-9067-5244
- name: Ryuji Tamura
  role: author
  orcid: https://orcid.org/0000-0001-8589-4311

## Contact agent



## Publisher

organization: Wiley

## Managing organization



## Keyword

- subject: Al-Cu-Fe
  schema: not_defined
- subject: catalyst
  schema: not_defined
- subject: Quasicrystal
  schema: not_defined
- subject: reverse water-gas-shift reaction
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: ChemSusChem
  issn: '18645631'
  volume: '18'
  issue: '24'
  article_number: e202501424

## Conference



## Related item



## Funding

- identifier: 22F22348
  funder_name: Japan Society for the Promotion of Science
- identifier: 24F24036
  funder_name: Japan Society for the Promotion of Science
- identifier: JPMJCR22O3
  funder_name: Japan Science and Technology Agency
  description: JST CREST grant

## 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



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## Fileset

- id: 4071ab78-d75b-4489-97ee-cde706c99249
  filename: ChemSusChem - 2025 - Jin - Superior Performance and Catalytic Mechanism
    of an Icosahedral Quasicrystal Al‐Cu‐Fe in CO2 (2).pdf
  content_type: application/pdf
  size: 3841698
  md5: 4715397a00ed56bdc2a24572d35e9139

## Thumbnail

fileset_id: 4071ab78-d75b-4489-97ee-cde706c99249
filename: ChemSusChem - 2025 - Jin - Superior Performance and Catalytic Mechanism
  of an Icosahedral Quasicrystal Al‐Cu‐Fe in CO2 (2).pdf