Figure 1.

Schematic model of AIMD simulations based on SBC. The two-dimensional periodic graphene sheet includes 160 C atoms. The orange C atoms are Langevin atoms that experience friction and random forces, and the blue atoms are fixed; the atoms of these two parts oscillate around their equilibrium positions. All other atoms (grey and red atoms) correspond to Newtonian atoms, which are free to move according to Newton’s law of motion. The positions of Newtonian atoms constitute the atom implantation region; presumably, the perpendicular collision can occur between the incident Ga/Ge/As atoms and the red C atom in graphene lattice.