Adsorption of helium clusters on graphene (CROSBI ID 576310)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Vranjes Markic, Leandra ; Beslic, Ivana ; Stipanovic, Petar ; Zillich, Robert E.
engleski
Adsorption of helium clusters on graphene
We report the results of the study of 4HeN clusters adsorbed on one and both sides of a graphene sheet. Interactions of 4He clusters with graphene are modelled using an averaged helium-carbon potential that depends only on the distance to the graphene sheet, and a potential constructed as a sum of individual helium-carbon interactions. That way, we assess the effect of corrugation on the binding properties of helium clusters, both using isotropic and anisotropic helium-carbon interactions. In addition, we assess the influence of the substrate-mediated McLachlan interaction. All the calculations have been performed using quantum Monte Carlo methods. At zero temperature the ground-state properties of 4HeN for 2 N 50 have been determined using variational and diffusion Monte Carlo calculations. We find that clusters adsorbed on both sides of graphene are correlated. In addition, we observe the changes in the size of the clusters. For selected larger clusters, calculations have been performed also at finite temperature by path integral Monte Carlo simulations.
helium ; graphene ; ground-state ; clusters
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Podaci o prilogu
12-12.
2011.
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objavljeno
Podaci o matičnoj publikaciji
Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications
Wexler, Carlos
Columbia (MO): University of Missouri
Podaci o skupu
Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications
pozvano predavanje
22.09.2011-24.09.2011
Sjedinjene Američke Države; Kolumbija