Silicon carbide and III-Nitrides nanosheets: Promising anodes for Mg-ion batteries

Abstract

In this article anode materials of silicon carbide and III-nitride nanosheets are investigated for magnesium ion batteries (MIBs) as possible alternative of lithium and sodium ion batteries. The calculated density functional theory results reveal higher values of internal energy change and cell voltage for MIBs with silicon carbide, boron nitride, aluminum nitride and gallium nitride anode material than the previously reported carbon nanomaterials. The nanosheet shows stronger binding capacity for Mg ion both in monolayer and bulk phase. The adsorption energies and cell voltage decreases as the concentration of Mg ions over nanosheet increased. The lower values (0.05–0.37 eV) of diffusion barriers prove the faster mobility of Mg ion in 2D nanosheet. The boron nitride and silicon carbide exhibit a high storage capacity of 1619.90 mA h/g and 1002.64 mA h/g respectively. Therefore, silicon carbide and III-nitride nanosheets based anode MIBs could be a promising alternative of lithium ion batteries and needs further studies.