Ultrahigh energy storage and ultrafast ion diffusion in borophene-based anodes for rechargeable metal ion batteries

Since the turn of the new century, the increasing demand for high-performance energy storage systems has generated considerable interest in rechargeable ion batteries (IBs). However, current IB technologies are not entirely satisfactory, especially the electrodes. We report here, via density functional theory calculations and first principles molecular dynamics simulations, that a borophene anode material has the fascinating properties of ultrahigh energy storage and ultrafast ion diffusion in metal (Li, Na, K, Mg, Al) IBs. Particularly for Li IBs with a borophene anode, a specific density of 3306 mA h g(-1) and a high charging voltage of 1.46 V can be maintained at room temperature. Furthermore, non-ideal borophene anodes, including those with defects or oxidation and nanoribbon samples, still possess good properties for practical applications. This theoretical exploration will provide helpful guidance in searching for available or novel boron nanosheets as promising anode materials to advance commercial IB technology.