Naslov
Adsorption of helium clusters on graphene

Autori
Vranjes Markic, Leandra ; Beslic, Ivana ; Stipanovic, Petar ; Zillich, Robert E.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications / Wexler, Carlos - Columbia (MO) : University of Missouri, 2011, 12-12

Skup
Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications

Mjesto i datum
Sjedinjene Američke Države; Kolumbija, 22.09.2011. - 24.09.2011

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
helium ; graphene ; ground-state ; clusters

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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