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

Nabil KhossossiCondensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120, Uppsala, SwedenAmitava BanerjeeCondensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120, Uppsala, SwedenI. EssaoudiCondensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120, Uppsala, SwedenA. AinaneCondensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120, Uppsala, SwedenPuru JenaDepartment of Physics, Virginia Commonwealth University, Richmond, VA, 23284, USARajeev AhujaApplied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), S-100 44 Stockholm, Sweden

2020en

ABI

Annotatsiya

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.

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DOI: 10.1016/j.jpowsour.2020.229318

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