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Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

Author

Listed:
  • Yang-Gang Wang

    (Institute for Interfacial Catalysis, Pacific Northwest National Laboratory
    Tsinghua University)

  • Donghai Mei

    (Institute for Interfacial Catalysis, Pacific Northwest National Laboratory)

  • Vassiliki-Alexandra Glezakou

    (Institute for Interfacial Catalysis, Pacific Northwest National Laboratory)

  • Jun Li

    (Tsinghua University
    Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory)

  • Roger Rousseau

    (Institute for Interfacial Catalysis, Pacific Northwest National Laboratory)

Abstract

Catalysis by gold supported on reducible oxides has been extensively studied, yet issues such as the nature of the catalytic site and the role of the reducible support remain fiercely debated topics. Here we present ab initio molecular dynamics simulations of an unprecedented dynamic single-atom catalytic mechanism for the oxidation of carbon monoxide by ceria-supported gold clusters. The reported dynamic single-atom catalytic mechanism results from the ability of the gold cation to strongly couple with the redox properties of the ceria in a synergistic manner, thereby lowering the energy of redox reactions. The gold cation can break away from the gold nanoparticle to catalyse carbon monoxide oxidation, adjacent to the metal/oxide interface and subsequently reintegrate back into the nanoparticle after the reaction is completed. Our study highlights the importance of the dynamic creation of active sites under reaction conditions and their essential role in catalysis.

Suggested Citation

  • Yang-Gang Wang & Donghai Mei & Vassiliki-Alexandra Glezakou & Jun Li & Roger Rousseau, 2015. "Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles," Nature Communications, Nature, vol. 6(1), pages 1-8, May.
    • Handle: RePEc:nat:natcom:v:6:y:2015:i:1:d:10.1038_ncomms7511
    DOI: 10.1038/ncomms7511
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    Cited by:

    1. Zihao Zhang & Jinshu Tian & Yubing Lu & Shize Yang & Dong Jiang & Weixin Huang & Yixiao Li & Jiyun Hong & Adam S. Hoffman & Simon R. Bare & Mark H. Engelhard & Abhaya K. Datye & Yong Wang, 2023. "Memory-dictated dynamics of single-atom Pt on CeO2 for CO oxidation," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    2. Hui Xin & Rongtan Li & Le Lin & Rentao Mu & Mingrun Li & Dan Li & Qiang Fu & Xinhe Bao, 2024. "Reverse water gas-shift reaction product driven dynamic activation of molybdenum nitride catalyst surface," Nature Communications, Nature, vol. 15(1), pages 1-8, December.

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