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

  • Regular Article - Solid State and Materials; Semiconductors
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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

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Data availability statement

All data generated or analyzed during this study are included in this published article and its supplementary information files. This manuscript has data included as electronic supplementary material. The online version of this article contains supplementary material, which is available to authorized users.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant Nos. 12274264 and 11974215), the Natural Science Foundation of Shandong Province (Grant Nos. ZR2022MA039 and ZR2021MA105), and the Qingchuang Science and Technology Plan of Shandong Province (Grant No. 2019KJJ014).

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  1. School of Physics and Electronics, Shandong Normal University, Jinan, 250358, China

    Jiali Wang, Jiajun Lu, Xiuwen Zhao, Guichao Hu, Xiaobo Yuan & Junfeng Ren

  2. Shandong Provincial Engineering and Technical Center of Light Manipulations and Institute of Materials and Clean Energy, Shandong Normal University, Jinan, 250358, China

    Junfeng Ren

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JW: investigation, formal analysis, and writing—original draft. JL: conceptualization, supervision, and writing—review and editing. XZ: formal analysis and data curation. GH: formal analysis and funding acquisition. XY: formal analysis and project administration. JR: supervision, writing—review and editing, and funding acquisition.

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Wang, J., Lu, J., Zhao, X. et al. Two-dimensional Janus AsXY (X = Se, Te; Y = Br, I) monolayers for photocatalytic water splitting. Eur. Phys. J. B 96, 17 (2023). https://doi.org/10.1140/epjb/s10051-023-00486-2

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