Carbon and germanium nanocages as anode electrodes in sodium-ion and potassium-ion batteries

Here, the potential of C₃₆, C₄₈, and Ge₄₈ nanocages as anodes of Na-ion battery (IB) and K-IB are investigated by DFT/M06-2X and DFT/B3LYP in gas and solvent. The E_Formation and E_Gap of C₃₆, C₄₈, and Ge₄₈ nanocages are investigated by theoretical methods. The vertical and adiabatic EA and IP of C₃₆, C₄₈, and Ge₄₈ nanocages are examined in gas and solvent. The E_ad of Na⁺ and K⁺ on inner and outer positions of C₃₆, C₄₈, and Ge₄₈ nanocages are investigated. The V_cell and C_Theory of C₃₆, C₄₈, and Ge₄₈ as anodes of batteries are investigated. The results of this paper proposed the nano materials (C₄₈ and Ge₄₈ nanocage) as anodes of Na-IB and K-IB with higher C_Theory and V_cell than graphene nanosheet.