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<p>In this study, the capacities of C, Ge, AlN, and AlP nanostructures in batteries are investigated. The electrochemical parameters of O-, S-, and N-doped C, Ge, AlN, and AlP nanostructures in batteries are calculated and compared with corresponding in previous works. The O-, S-, and N-doped C, Ge, AlP, and AlN nanocages have the negative E<sub>cohesive</sub> and E<sub>adoption</sub> and these nanostructures can be considered as materials in batteries. The theoretical capacities of C nanocages in batteries are decreased when the numbers of C atoms are increased. The O, S, and N adoption of C, Ge, AlN, and AlP nanostructures increased their stabilities and electrochemical parameters in batteries. The AlN nanostructures in batteries have the highest electrochemical parameters and the C nanostructures have the lowest V<sub>cell</sub> and C<sub>theory</sub>. Finally, the AlNNT(9, 0), AlPNT(8, 0), and Al<sub>30</sub>N<sub>30</sub> nanostructures are proposed in Mg-ion batteries with the highest capacities.</p>

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Capacities of carbon, germanium, aluminum nitride, and aluminum phosphide nanotubes and nanocages as anode electrodes in Li-, Na-, and Mg-ion batteries

  • 期刊论文

  • 发表日期：

    2025年1月3日

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  • Farag M. A. Altalbawy,
  • Ahmad Alkhayyat,
  • Prakash Kanjariya,
  • Abhinav Kumar,
  • Asha Rajiv,
  • Aman Shankhyan,
  • Helen Merina Albert,
  • Bhavik Jain,
  • Yuoan Liu

摘要

In this study, the capacities of C, Ge, AlN, and AlP nanostructures in batteries are investigated. The electrochemical parameters of O-, S-, and N-doped C, Ge, AlN, and AlP nanostructures in batteries are calculated and compared with corresponding in previous works. The O-, S-, and N-doped C, Ge, AlP, and AlN nanocages have the negative Ecohesive and Eadoption and these nanostructures can be considered as materials in batteries. The theoretical capacities of C nanocages in batteries are decreased when the numbers of C atoms are increased. The O, S, and N adoption of C, Ge, AlN, and AlP nanostructures increased their stabilities and electrochemical parameters in batteries. The AlN nanostructures in batteries have the highest electrochemical parameters and the C nanostructures have the lowest Vcell and Ctheory. Finally, the AlNNT(9, 0), AlPNT(8, 0), and Al30N30 nanostructures are proposed in Mg-ion batteries with the highest capacities.