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Role of Van der Waals forces in graphene adsorption over Pd, Pt and Ni

Published 28 Feb 2013 in cond-mat.mtrl-sci | (1303.0033v1)

Abstract: We report ab initiocomputations with the Vienna ab Initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over Pd.

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