Role of Van der Waals Forces in Graphene Adsorption over Pd, Pt, and Ni
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.
- Publication:
-
Brazilian Journal of Physics
- Pub Date:
- June 2013
- DOI:
- 10.1007/s13538-013-0124-3
- arXiv:
- arXiv:1303.0033
- Bibcode:
- 2013BrJPh..43..126Q
- Keywords:
-
- Graphene;
- Van der Waals;
- Pd;
- Pt;
- Ni;
- Condensed Matter - Materials Science
- E-Print:
- accept 2013 accept for publication in Volume 43 of the Brazilian Journal of Physics