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Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

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Abstract

Potential of silicon nanocages (Sin, n = 20, 24, 28, 32, 36, 40, 44, 48, 60, 70, 80 and 90) as anodes in batteries are examined. The thermal stability, ionization potentials, electron affinities, bond gap energies of Sin structures are investigated. Results shown when the numbers of Si atoms of nanocages are increased the IP, EGap and EA of Sin are decreased. The cell voltage and capacities of 12 silicon structures are investigated. The Vcell and CTheory of Sin in batteries in four sides of nanocage positions are higher than inner and outer positions. The Vcell of Sin structures in Li-ion batteries are 1.82–2.20 V and the CTheory of Sin structures in Li-IBs are 653.0–799.2 mAh/g. The Vcell and CTheory of Sin structures in this study are higher than Vcell and CTheory of graphite compounds, carbon nano structures and boron nitride nanotubes.

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Acknowledgements

We thank our research group for their helps.

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Author information

Authors and Affiliations

  1. Medical Laboratory Techniques Department, Al-Maarif University College, Al-anbar-Ramadi, Iraq

    Saade Abdalkareem Jasim

  2. Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11942, Al-Kharj, Saudi Arabia

    Yassine Riadi

  3. Head of the Department of Medical and Biological Chemistry, Tashkent State Dental Institute, Tashkent, Uzbekistan

    Nusrat N. Akhmadaliev

  4. Department of Computer Engineering and Applications, GLA University, Mathura, India

    Himanshu Sharma

  5. Al-Nisour University College, Baghdad, Iraq

    Holya A. Lafta

  6. Department of Medical Chemistry, XinYang Vocational and Technical College, Xinyang, 464000, China

    Jinlian Qiao

Authors
  1. Saade Abdalkareem Jasim
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  2. Yassine Riadi
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  3. Nusrat N. Akhmadaliev
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  4. Himanshu Sharma
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  5. Holya A. Lafta
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  6. Jinlian Qiao
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Contributions

Saade Abdalkareem Jasim (Conceptualization, Formal analysis), Yassine Riadi (Funding acquisition, Methodology), Nusrat N. Akhmadaliev (Project administration, Resources, Software), Himanshu Sharma (Supervision, Validation, Visualization), Holya A. Lafta (Writing – original draft, Investigation, Data curation), Jinlian Qiao (writing, obtain data, software).

Corresponding author

Correspondence to Jinlian Qiao.

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Jasim, S.A., Riadi, Y., Akhmadaliev, N.N. et al. Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination. Silicon 14, 10225–10235 (2022). https://doi.org/10.1007/s12633-022-01761-0

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  • DOI: https://doi.org/10.1007/s12633-022-01761-0

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