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Two-dimensional Janus AsXY (X = Se, Te; Y = Br, I) monolayers for photocatalytic water splitting

Author

Listed:
  • Jiali Wang

    (Shandong Normal University)

  • Jiajun Lu

    (Shandong Normal University)

  • Xiuwen Zhao

    (Shandong Normal University)

  • Guichao Hu

    (Shandong Normal University)

  • Xiaobo Yuan

    (Shandong Normal University)

  • Junfeng Ren

    (Shandong Normal University
    Shandong Normal University)

Abstract

Two-dimensional (2D) Janus materials exhibit great potential in photocatalytic applications for providing clean and renewable energy. Here, using the first principles calculations, we explore Janus AsXY (X = Se, Te; Y = Br, I) monolayers that have excellent stability and can be applied in photocatalytic water splitting. It is shown that all four Janus monolayers are indirect band-gap semiconductors with the bandgaps greater than 1.23 eV and their band edge positions straddle both sides of the water redox potential, which facilitates the prevention of carrier recombination. Meanwhile, AsXY monolayers exhibit excellent optical absorption both in the visible and the near-ultraviolet regions. Interestingly, the external potential applied to the AsXY monolayers can provide sufficient photoexcited carrier driving force for the oxygen evolution reaction and the hydrogen evolution reaction in an acidic environment. Therefore, our results reveal that Janus AsXY monolayers are promising candidates for optoelectronics and photocatalytic water splitting applications. Graphical Abstract The diagram of photocatalytic water splitting

Suggested Citation

  • Jiali Wang & Jiajun Lu & Xiuwen Zhao & Guichao Hu & Xiaobo Yuan & Junfeng Ren, 2023. "Two-dimensional Janus AsXY (X = Se, Te; Y = Br, I) monolayers for photocatalytic water splitting," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 96(2), pages 1-10, February.
    • Handle: RePEc:spr:eurphb:v:96:y:2023:i:2:d:10.1140_epjb_s10051-023-00486-2
    DOI: 10.1140/epjb/s10051-023-00486-2
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    References listed on IDEAS

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    1. Fang Yu & Haiqing Zhou & Yufeng Huang & Jingying Sun & Fan Qin & Jiming Bao & William A. Goddard & Shuo Chen & Zhifeng Ren, 2018. "High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting," Nature Communications, Nature, vol. 9(1), pages 1-9, December.
    2. Reilly, Kevin & Wilkinson, David P. & Taghipour, Fariborz, 2018. "Photocatalytic water splitting in a fluidized bed system: Computational modeling and experimental studies," Applied Energy, Elsevier, vol. 222(C), pages 423-436.
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