Molecular mechanics investigations of carbon nanotube and graphene sheet interaction
hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
dc.contributor.author | SEYDOU, Mahamadou | |
hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
dc.contributor.author | MARSAUDON, Sophie | |
hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
dc.contributor.author | BUCHOUX, Julien | |
hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
dc.contributor.author | AIMÉ, Jean Pierre | |
hal.structure.identifier | Semi-conducteurs à large bande interdite [NEEL - SC2G] | |
dc.contributor.author | BONNOT, Anne-Marie | |
dc.date.issued | 2009-12-15 | |
dc.identifier.issn | 1098-0121 | |
dc.description.abstractEn | 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. | |
dc.language.iso | en | |
dc.publisher | American Physical Society | |
dc.title.en | Molecular mechanics investigations of carbon nanotube and graphene sheet interaction | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1103/PhysRevB.80.245421 | |
dc.subject.hal | Physique [physics] | |
bordeaux.journal | Physical Review B: Condensed Matter and Materials Physics (1998-2015) | |
bordeaux.page | 245421 | |
bordeaux.volume | 80 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-01075297 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-01075297v1 | |
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