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.
Brazilian Journal of Physics
- Pub Date:
- June 2013
- Van der Waals;
- Condensed Matter - Materials Science
- accept 2013 accept for publication in Volume 43 of the Brazilian Journal of Physics