Molecular mechanics investigations of carbon nanotube and graphene sheet interaction
Language
en
Article de revue
This item was published in
Physical Review B: Condensed Matter and Materials Physics (1998-2015). 2009-12-15, vol. 80, p. 245421
American Physical Society
English Abstract
The interaction between a carbon nanotube ͑CNT͒ and a graphene sheet is investigated to describe the contact properties between a CNT atomic force microscope ͑AFM͒ tip and a graphite surface. The energy of the whole system ...Read more >
The interaction between a carbon nanotube ͑CNT͒ and a graphene sheet is investigated to describe the contact properties between a CNT atomic force microscope ͑AFM͒ tip and a graphite surface. The energy of the whole system is calculated using MM+ molecular mechanical modeling. With the numerical calculations, one explores the sliding motion of the CNT on the graphene sheet either at the CNT apex or with a given CNT length contacting the surface. The aim is to mimic the AFM CNT tip scanning a graphite surface. To do so we calculate the energy barriers, the tips have to overcome to achieve a full translation. The results show that the barrier heights markedly depend on the contact length between the CNT and the graphene but show a weak dependence, if any, on the CNT tube diameter.Read less <
Origin
Hal imported