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

Author

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  • Zhenhua Zhang

    (University of Science and Technology of China
    Zhejiang Normal University)

  • 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
    Zhejiang Normal University)

  • 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
    Dalian National Laboratory for Clean Energy)

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.

Suggested Citation

  • 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, 2021. "The active sites of Cu–ZnO catalysts for water gas shift and CO hydrogenation reactions," Nature Communications, Nature, vol. 12(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-24621-8
    DOI: 10.1038/s41467-021-24621-8
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    Cited by:

    1. Hao Meng & Yusen Yang & Tianyao Shen & Zhiming Yin & Lei Wang & Wei Liu & Pan Yin & Zhen Ren & Lirong Zheng & Jian Zhang & Feng-Shou Xiao & Min Wei, 2023. "Designing Cu0−Cu+ dual sites for improved C−H bond fracture towards methanol steam reforming," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    2. Chuanhao Wang & Junjie Du & Lin Zeng & Zhongling Li & Yizhou Dai & Xu Li & Zijun Peng & Wenlong Wu & Hongliang Li & Jie Zeng, 2023. "Direct synthesis of extra-heavy olefins from carbon monoxide and water," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    3. Guo Tian & Xinyan Liu & Chenxi Zhang & Xiaoyu Fan & Hao Xiong & Xiao Chen & Zhengwen Li & Binhang Yan & Lan Zhang & Ning Wang & Hong-Jie Peng & Fei Wei, 2022. "Accelerating syngas-to-aromatic conversion via spontaneously monodispersed Fe in ZnCr2O4 spinel," Nature Communications, Nature, vol. 13(1), pages 1-11, December.

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