Molecular dynamics simulation of graphene bombardment with Si ion

• We provides a model to prepare graphene-based SiC material using ion bombardment.
• The parameters required to develop graphene devices by controlling defect formation.
• It study the Si ion impact the graphene sheet based on molecular dynamics simulation.
• The presents of Si–C tetrahedron can be provides a thought to develop quantum dot.

Molecular dynamics simulations with Tersoff–Ziegler–Biersack–Littmark (Tersoff–ZBL) potential and adaptive intermolecular reactive empirical bond order (AIREBO) potential are performed to study the effect of irradiated graphene with silicon ion at several positions and energy levels of 0.1–1000 eV. The simulations reveal four processes: absorption, replacement, transmission and damage. At energies below 110 eV, the dominant process is absorption. For atom in group (a), the process that takes place is replacement, in which the silicon ion removes one carbon atom and occupies the place of the eliminated atom at the incident energy of 72–370 eV. Transmission is present at energies above 100 eV for atom in group (d). Damage is a very important process in current bombardment, and there are four types of defects: single vacancy, replacement-single vacancy, double vacancy and nanopore. The simulations provide a fundamental understanding of the silicon bombardment of graphene, and the parameters required to develop graphene-based devices by controlling defect formation.