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Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability

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Abstract

Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energy (1.00 eV) for single Mg atom indicates good structural stability. Silicether could undergo the transition from semiconductor to metal even at a low Mg concentration (0.0625). Furthermore, silicether exhibits the low diffusion barrier (0.21 eV), the maximum storage capacity of 744 mAh g−1, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs.

Graphical abstract

Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV.

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Data availability statement

The data that support the findings of this study are available from the corresponding author [X. Y. Ye], upon reasonable request.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant no. 61974068).

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Authors and Affiliations

  1. College of Integrated Circuit Science and Engineering, Nan**g University of Posts and Telecommunications, Nan**g, 210023, China

    Rui Zhao & **ao-Juan Ye

  2. College of Electronic and Optical Engineering, Nan**g University of Posts and Telecommunications, Nan**g, 210023, China

    Chun-Sheng Liu

Authors
  1. Rui Zhao
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  2. **ao-Juan Ye
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  3. Chun-Sheng Liu
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Contributions

RZ conceived the analysis and wrote the paper. X-JY performed the analysis and revised the paper. C-SL revised the paper.

Corresponding authors

Correspondence to **ao-Juan Ye or Chun-Sheng Liu.

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Zhao, R., Ye, XJ. & Liu, CS. Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability. Eur. Phys. J. B 96, 84 (2023). https://doi.org/10.1140/epjb/s10051-023-00557-4

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  • DOI: https://doi.org/10.1140/epjb/s10051-023-00557-4

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