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 () and Weixin Huang ()
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Zhenhua Zhang: University of Science and Technology of China
Xuanye Chen: University of Science and Technology of China
Jincan Kang: National Engineering Laboratory for Green Chemical Productions of Alcohols, Ethers and Esters, College of Chemistry and Chemical Engineering, Xiamen University
Zongyou Yu: University of Science and Technology of China
Jie Tian: University of Science and Technology of China
Zhongmiao Gong: Chinese Academy of Sciences
Aiping Jia: University of Science and Technology of China
Rui You: University of Science and Technology of China
Kun Qian: University of Science and Technology of China
Shun He: National Engineering Laboratory for Green Chemical Productions of Alcohols, Ethers and Esters, College of Chemistry and Chemical Engineering, Xiamen University
Botao Teng: Zhejiang Normal University
Yi Cui: Chinese Academy of Sciences
Ye Wang: National Engineering Laboratory for Green Chemical Productions of Alcohols, Ethers and Esters, College of Chemistry and Chemical Engineering, Xiamen University
Wenhua Zhang: University of Science and Technology of China
Weixin Huang: University of Science and Technology of China

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: 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.

Date: 2021
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DOI: 10.1038/s41467-021-24621-8

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