Activating lithium-ion storage performances of two-dimensional MSi 2 N 4 (M = Mo, W) monolayers: a theoretical prediction

) were selected as potential Li-ion battery anodes with high specific capacity, low open-circuit voltage, good electronic conductivity and fast Li-ion dynamics. This work not only highlights a family of potential Li-ion battery anodes, but also provides feasible strategies for activating their Li-ion storage performances.