Role of Van der Waals Forces in Graphene Adsorption over Pd, Pt, and Ni |
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| Authors: | Matias A O Quiroga Gabriela F Cabeza |
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| Institution: | 1. Instituto de Física del Sur, CONICET, Bahia Blanca, Buenos Aires, Argentina
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| Abstract: | We report ab initio computations 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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