Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for 
Li/Na-ion batteries

Khossossi, Nabil; Banerjee, Amitava; Essaoudi, Ismail; Ainane, Abdelmajid; Jena, Puru; Ahuja, Rajeev

doi:10.1016/j.jpowsour.2020.229318

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Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

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Ainane, Abdelmajid
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Khossossi, N., Banerjee, A., Essaoudi, I., Ainane, A., Jena, P., & Ahuja, R. (2021). Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries. Journal of Power Sources, 485: 229318. doi:10.1016/j.jpowsour.2020.229318.

Cite as: https://hdl.handle.net/21.11116/0000-0008-1DA6-D

Abstract

Development of high capacity anode materials is one of the essential strategies for next-generation high-performance Li/Na-ion batteries. Rational design, using density functional theory, can expedite the discovery of these anode materials. Here, we propose a new anode material, germanium carbide, g-GeC, for Li/Na-ion batteries. Our results show that g-GeC possesses both benefits of the high stability of graphene and the strong interaction between Li/Na and germanene. The single-layer germanium carbide, g-GeC, can be lithiated/sodiated on both sides yielding Li2GeC and Na2GeC with a storage capacity as high as 633 mA h/g. Besides germagraphene's 2D honeycomb structure, fast charge transfer, and high (Li/Na)-ion diffusion and negligible volume change further enhance the anode performance. These findings provide valuable insights into the electronic characteristics of newly predicted 2D g-GeC nanomaterial as a promising anode for (Li/Na)-ion batteries.