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Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity

Author

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  • Xiaowei Guo

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science)

  • Erhong Song

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science)

  • Wei Zhao

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science)

  • Shumao Xu

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences)

  • Wenli Zhao

    (Nanjing Tech University)

  • Yongjiu Lei

    (King Abdullah University of Science and Technology (KAUST))

  • Yuqiang Fang

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science)

  • Jianjun Liu

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science
    Shanghai Institute of Materials Genome)

  • Fuqiang Huang

    (Shanghai Institute of Ceramics, Chinese Academy of Sciences
    University of Chinese Academy of Science
    Peking University)

Abstract

Active electronic states in transition metal dichalcogenides are able to prompt hydrogen evolution by improving hydrogen absorption. However, the development of thermodynamically stable hexagonal 2H-MoS2 as hydrogen evolution catalyst is likely to be shadowed by its limited active electronic state. Herein, the charge self-regulation effect mediated by tuning Mo−Mo bonds and S vacancies is revealed in metastable trigonal MoS2 (1T'''-MoS2) structure, which is favarable for the generation of active electronic states to boost the hydrogen evolution reaction activity. The optimal 1T'''-MoS2 sample exhibits a low overpotential of 158 mV at 10 mA cm−2 and a Tafel slope of 74.5 mV dec−1 in acidic conditions, which are far exceeding the 2H-MoS2 counterpart (369 mV and 137 mV dec−1). Theoretical modeling indicates that the boosted performance is attributed to the formation of massive active electronic states induced by the charge self-regulation effect of Mo−Mo bonds in defective 1T'''-MoS2 with rich S vacancies.

Suggested Citation

  • Xiaowei Guo & Erhong Song & Wei Zhao & Shumao Xu & Wenli Zhao & Yongjiu Lei & Yuqiang Fang & Jianjun Liu & Fuqiang Huang, 2022. "Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
  • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-33636-8
    DOI: 10.1038/s41467-022-33636-8
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    References listed on IDEAS

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    1. Min Li & Hong Li & Hefei Fan & Qianfeng Liu & Zhao Yan & Aiqin Wang & Bing Yang & Erdong Wang, 2024. "Engineering interfacial sulfur migration in transition-metal sulfide enables low overpotential for durable hydrogen evolution in seawater," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    2. Yujie Zhang & Jiale Chen & Kaixuan Li & Hongping Wu & Zhanggui Hu & Jiyang Wang & Yicheng Wu & Hongwei Yu, 2024. "LaMg6Ga6S16: a chemical stable divalent lanthanide chalcogenide," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    3. Jie Xu & Xiong-Xiong Xue & Gonglei Shao & Changfei Jing & Sheng Dai & Kun He & Peipei Jia & Shun Wang & Yifei Yuan & Jun Luo & Jun Lu, 2023. "Atomic-level polarization in electric fields of defects for electrocatalysis," Nature Communications, Nature, vol. 14(1), pages 1-9, December.

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