Computer simulation of the xenon-cluster bombardment of mercury on graphene

Abstract

The bombardment of a target with Xe₁₃ clusters with kinetic energies ranging from 5 to 30 eV and an incident angle of θ = 0° is studied using the molecular dynamics method. The target consists of mercury on partially hydrogenated imperfect graphene. The complete cleaning of a graphene sheet from mercury is not reached after 125 cluster impacts. The radial distribution functions and vertical density profiles indicate the formation of Hg monomer vapor around the bombarded target. The Hg film has a tendency to curl into a droplet. For all cluster energies, the Hg atom mobility and stresses in the Hg film in the horizontal directions are higher than in the vertical direction. The roughness of the graphene sheet increases continuously under bombardment.