Role of Van der Waals forces in graphene adsorption over Pd, Pt and Ni
Matias Abel Oscar Quiroga
TL;DR
This study uses ab initio simulations to investigate how graphene interacts with Pd, Pt, and Ni surfaces, highlighting the unique adsorption characteristics on Pd surfaces.
Contribution
It provides a comparative analysis of graphene adsorption mechanisms on Pd, Pt, and Ni, emphasizing the specific behavior on Pd surfaces using VASP simulations.
Findings
Graphene shows distinct adsorption behavior on Pd compared to Pt and Ni.
The study highlights the importance of van der Waals forces in graphene adsorption.
Adsorption energies vary significantly among the three metals.
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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