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Microenvironment reconstitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting

Author

Listed:
  • Mengyun Hou

    (Beijing Institute of Technology)

  • Lirong Zheng

    (Chinese Academy of Sciences)

  • Di Zhao

    (Beijing Institute of Technology)

  • Xin Tan

    (Tsinghua University)

  • Wuyi Feng

    (Beijing Institute of Technology)

  • Jiantao Fu

    (Beijing Institute of Technology)

  • Tianxin Wei

    (Beijing Institute of Technology)

  • Minhua Cao

    (Beijing Institute of Technology)

  • Jiatao Zhang

    (Beijing Institute of Technology)

  • Chen Chen

    (Tsinghua University)

Abstract

The rational design of efficient bifunctional single-atom electrocatalysts for industrial water splitting and the comprehensive understanding of its complex catalytic mechanisms remain challenging. Here, we report a Ni single atoms supported on oxygen-incorporated Mo2C via Ni-O-Mo bridge bonds, that gives high oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) bifunctional activity. By ex situ synchrotron X-ray absorption spectroscopy and electron microscopy, we found that after HER, the coordination number and bond lengths of Ni-O and Ni-Mo (Ni-O-Mo) were all altered, yet the Ni species still remain atomically dispersed. In contrast, after OER, the atomically dispersed Ni were agglomerated into very small clusters with new Ni-Ni (Ni-O-Ni) bonds appeared. Combining experimental results and DFT calculations, we infer the oxidation degree of Mo2C and the configuration of single-atom Ni are both vital for HER or OER. This study provides both a feasible strategy and model to rational design highly efficient electrocatalysts for water electrolysis.

Suggested Citation

  • Mengyun Hou & Lirong Zheng & Di Zhao & Xin Tan & Wuyi Feng & Jiantao Fu & Tianxin Wei & Minhua Cao & Jiatao Zhang & Chen Chen, 2024. "Microenvironment reconstitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-45533-3
    DOI: 10.1038/s41467-024-45533-3
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    References listed on IDEAS

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