Fig. 1. (a) Schematic of Mg surface loading (adsorption process), diffusion along armchair and zigzag directions on phosphorene surface; (b) top view and (c) side view of the most stable binding site of Mg loading onto the monolayer phosphorene surface; (d) charge density difference between Mg and phosphorene, in which blue color means charge deficient and yellow color means charge sufficient; (e) total potential energy of Mg on phosphorene surface with respect to Mg–phosphorene distance.