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Molecular mechanics investigations of carbon nanotube and graphene sheet interaction

hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorSEYDOU, Mahamadou
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorMARSAUDON, Sophie
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorBUCHOUX, Julien
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorAIMÉ, Jean Pierre
hal.structure.identifierSemi-conducteurs à large bande interdite [NEEL - SC2G]
dc.contributor.authorBONNOT, Anne-Marie
dc.date.issued2009-12-15
dc.identifier.issn1098-0121
dc.description.abstractEnThe 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.isoen
dc.publisherAmerican Physical Society
dc.title.enMolecular mechanics investigations of carbon nanotube and graphene sheet interaction
dc.typeArticle de revue
dc.identifier.doi10.1103/PhysRevB.80.245421
dc.subject.halPhysique [physics]
bordeaux.journalPhysical Review B: Condensed Matter and Materials Physics (1998-2015)
bordeaux.page245421
bordeaux.volume80
bordeaux.peerReviewedoui
hal.identifierhal-01075297
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01075297v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Review%20B:%20Condensed%20Matter%20and%20Materials%20Physics%20(1998-2015)&rft.date=2009-12-15&rft.volume=80&rft.spage=245421&rft.epage=245421&rft.eissn=1098-0121&rft.issn=1098-0121&rft.au=SEYDOU,%20Mahamadou&MARSAUDON,%20Sophie&BUCHOUX,%20Julien&AIM%C3%89,%20Jean%20Pierre&BONNOT,%20Anne-Marie&rft.genre=article


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