Molecular Dynamics Simulation of Copper Removalfrom Graphene by Bombardment with Argon Clusters

High Energy Chemistry, 2014, Vol. 48, No. 2, pp. 112–116. © Pleiades Publishing, Ltd., 2014.

Original Russian Text © A.E. Galashev, A.A. Galasheva, 2014, published in Khimiya Vysokikh Energii, 2014, Vol. 48, No. 2, pp. 142–147.

A.E. Galashev and A. A. Galasheva

Abstract—The problem of developing a nondestructive method for purification of graphene to remove a deposited metal has been tackled. Bombardment of copper film precoated graphene by argon clusters has been simulated in terms of molecular dynamics. With a flow of 30 eV clusters directed parallel to the graphene sheet plane, the full removal of copper from graphene is achieved. The mobility of Cu and C atoms, the distribution of a stress that is the most susceptible to cluster impact in the graphene plane, and the graphene sheet surface roughness during the simulated process have been determined.

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