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Potential of Silicon and Carbon Nanocages (C38, F-C38, Cl-C38, Si38, F-Si38, Cl-Si38) as Anode Materials in Li-ion Battery and Mg-ion Battery

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Abstract

The ability and capacity of silicon and carbon nanocages (C38, F-C38, Cl-C38, Si38, F-Si38, Cl-Si38) as anodes of batteries are investigated to suggest the new nano-compounds as basic material of electrodes of batteries with suitable performance. The electrochemical parameters of C and Si nanocages as anodes of batteries are examined and compared by using of the computational models. The halogen (F and Cl) atoms are linked to Si38 and C38 as anodes in batteries to improve their capacity by theoretical models. The interaction energies of nanostructures with F and Cl atoms, interaction energies of nanostructures with Li and Mg and interaction energies of F-nanostructures and Cl-nanostructures with Li+ and Mg+2 ions are calculated by theoretical models. Finally, the F-Si38 and Cl-Si38 nanocages are suggested as suitable effective nano structures to utilize as electrodes in batteries.

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Acknowledgements

“Liaocheng University Initiation Fund for Doctoral Research” Research on the identification, quantification and energy management based on inconsistent parameters of Li-ion battery (No.318051906) and the Priority Academic Program Development of Jiangsu Higher Education Institutions (China University of Mining and Technology 2011).

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Authors and Affiliations

  1. College of Mechanical and Electrical Engineering, China University of Mining and Technology, Xuzhou, 221116, Jiangsu, China

    Lipeng Xu & Tonggang Liu

  2. School of Mechanical and Automotive Engineering, Liaocheng University, Liaocheng, 252000, Shandong, China

    Lipeng Xu, Chongwang Tian & Chunjiang Bao

  3. Shaoxing Hanli Industrial Automation Technology Co. LTD. Shaoxing, Zhejiang, 322118, China

    Hengchao Xia

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  1. Lipeng Xu
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Contributions

Lipeng Xu: Conceptualization, Methodology, Chongwang Tian: Software, Validation, Chunjiang Bao: Data Curation, Writing—Original Draft, Tonggang Liu: Writing—Review & Editing, Visualization, Hengchao Xia: Formal analysis, Investigation Resources.

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Correspondence to Lipeng Xu or Tonggang Liu.

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Xu, L., Tian, C., Bao, C. et al. Potential of Silicon and Carbon Nanocages (C38, F-C38, Cl-C38, Si38, F-Si38, Cl-Si38) as Anode Materials in Li-ion Battery and Mg-ion Battery. Silicon 15, 7293–7299 (2023). https://doi.org/10.1007/s12633-023-02580-7

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