BC${_3}$ as electrode for Mg ion batteries

We propose layered BC${_3}$ a novel electrode material for rechargeable magnesium ion batteries. Using dispersion-corrected density functional theory calculations, we show that layered BC${_3}$ can intercalate Mg ions between its layers to form the stoichoimetry Mg${_{0.5}}$BC${_3}$, which corresponds to a theoretical capacity of 572 mAh/g. We also propose a three step staging mechanism for Mg ion intercalation in BC$_3$ and show that it presents a moderate open circuit voltage in the range of 0.82 to 0.96 V with respect to metallic Mg anode.