Computer Analysis of the Stability of Copper Films on Graphene

Russian Journal of Physical Chemistry A, 2014, Vol. 88, No. 6, pp. 995–999. © Pleiades Publishing, Ltd., 2014.

Original Russian Text © A.E. Galashev, V.A. Polukhin, 2014, published in Zhurnal Fizicheskoi Khimii, 2014, Vol. 88, No. 6, pp. 997–1001.

A. E. Galashev and V. A. Polukhin

Abstract—The stability of copper films of three types on graphene was studied by the molecular dynamics method. Films in the form of (111) and (100) planes and elongated (111) plane of the Cu crystal were considered. The initial arrangement of the Cu atoms relative to the carbon atoms was shown to considerably affect the thermal stability of the films. The most stable film was the one formed by placing Cu atoms in the nonadjacent hexagonal cells of graphene. The horizontal mobility of Cu atoms in this film decreased, while the vertical mobility increased as the temperature increased. The most significant stresses in this film were determined by the zigzag and chair orientations of the graphene sheet.

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