The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions

Zhenhua Zhang; Xuanye Chen; Jincan Kang; Zongyou Yu; Jie Tian; Zhongmiao Gong; Aiping Jia; Rui You; Kun Qian; Shun He; Botao Teng; Yi Cui; Ye Wang; Wenhua Zhang; Weixin Huang

doi:10.1038/s41467-021-24621-8

The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions

Zhenhua Zhang
, Xuanye Chen
, Jincan Kang
, Zongyou Yu
, Jie Tian
, Zhongmiao Gong
, Aiping Jia
, Rui You
, Kun Qian
, Shun He
, Botao Teng
, Yi Cui
, Ye Wang^*
, Wenhua Zhang^*
, Weixin Huang^*

^*此作品的通讯作者

University of Science and Technology of China
Zhejiang Normal University
Xiamen University
CAS - Suzhou Institute of Nano-Tech and Nano-Bionics
CAS - Dalian Institute of Chemical Physics

科研成果: 期刊稿件 › 文章 › 同行评审

187 引用（Scopus）

摘要

Cu–ZnO–Al₂O₃ catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of Cu_Cu(100)-hydroxylated ZnO ensemble and Cu_Cu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al₂O₃ catalysts.

源语言	英语
文章编号	4331
期刊	Nature Communications
卷	12
期	1
DOI	https://doi.org/10.1038/s41467-021-24621-8
出版状态	已出版 - 1 12月 2021
已对外发布	是

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title = "The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions",

abstract = "Cu–ZnO–Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al2O3 catalysts.",

author = "Zhenhua Zhang and Xuanye Chen and Jincan Kang and Zongyou Yu and Jie Tian and Zhongmiao Gong and Aiping Jia and Rui You and Kun Qian and Shun He and Botao Teng and Yi Cui and Ye Wang and Wenhua Zhang and Weixin Huang",

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doi = "10.1038/s41467-021-24621-8",

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T1 - The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions

AU - Zhang, Zhenhua

AU - Chen, Xuanye

AU - Kang, Jincan

AU - Yu, Zongyou

AU - Tian, Jie

AU - Gong, Zhongmiao

AU - Jia, Aiping

AU - You, Rui

AU - Qian, Kun

AU - He, Shun

AU - Teng, Botao

AU - Cui, Yi

AU - Wang, Ye

AU - Zhang, Wenhua

AU - Huang, Weixin

PY - 2021/12/1

Y1 - 2021/12/1

N2 - Cu–ZnO–Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al2O3 catalysts.

AB - Cu–ZnO–Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al2O3 catalysts.

UR - https://www.scopus.com/pages/publications/85110659595

U2 - 10.1038/s41467-021-24621-8

DO - 10.1038/s41467-021-24621-8

M3 - 文章

C2 - 34267215

AN - SCOPUS:85110659595

SN - 2041-1723

VL - 12

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 4331

ER -

The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions

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