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

Junping Hu () and Xiaohang Zhang
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Junping Hu: School of Science, Nanchang Institute of Technology
Xiaohang Zhang: School of Science, Nanchang Institute of Technology

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 5, 1-5

Abstract: 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.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2018
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DOI: 10.1140/epjb/e2018-90028-6

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