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Theoretical prediction of honeycomb carbon as Li-ion batteries anode material

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  • Junping Hu

    (School of Science, Nanchang Institute of Technology)

  • Xiaohang Zhang

    (School of Science, Nanchang Institute of Technology)

Abstract

First principles calculations are performed to study the electronic properties and Li storage capability of honeycomb carbon. We find its right model consistent with the experimental result, the honeycomb carbon and its Li-intercalated configurations are all metallic which is beneficial to the electrode materials for lithium-ion batteries. The model 1 configuration shows fast Li diffusion and theoretical Li storage capacity of 319 mAh/g. Moreover, the average intercalation potentials for honeycomb carbon material is calculated to be low relatively. Our results suggest that the honeycomb carbon would be a new promising pure carbon anode material for Li-ion batteries.

Suggested Citation

  • Junping Hu & Xiaohang Zhang, 2018. "Theoretical prediction of honeycomb carbon as Li-ion batteries anode material," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 91(5), pages 1-5, May.
    • Handle: RePEc:spr:eurphb:v:91:y:2018:i:5:d:10.1140_epjb_e2018-90028-6
    DOI: 10.1140/epjb/e2018-90028-6
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    Cited by:

    1. Wang, Caiwei & Cao, Liyun & Huang, Jianfeng & Li, Jiayin & Kajiyoshi, Koji, 2021. "Divergent thinking and its application in biomass carbon electrode preparation," Renewable and Sustainable Energy Reviews, Elsevier, vol. 138(C).
    2. Carolina del Mar Saavedra Rios & Loïc Simonin & Arnaud de Geyer & Camelia Matei Ghimbeu & Capucine Dupont, 2020. "Unraveling the Properties of Biomass-Derived Hard Carbons upon Thermal Treatment for a Practical Application in Na-Ion Batteries," Energies, MDPI, vol. 13(14), pages 1-25, July.
    3. Senthil, Chenrayan & Lee, Chang Woo, 2021. "Biomass-derived biochar materials as sustainable energy sources for electrochemical energy storage devices," Renewable and Sustainable Energy Reviews, Elsevier, vol. 137(C).

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    Keywords

    Solid State and Materials;

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