Molecular simulation of the carbon nanotube growth mode during catalytic synthesis

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dc.contributorVirginia Techen
dc.contributor.authorBanerjee, Soumiken
dc.contributor.authorNaha, Sayangdeven
dc.contributor.authorPuri, Ishwar K.en
dc.contributor.departmentBiomedical Engineering and Mechanicsen
dc.date.accessed2014-03-27en
dc.date.accessioned2014-04-16T14:16:44Zen
dc.date.available2014-04-16T14:16:44Zen
dc.date.issued2008-06-01en
dc.description.abstractCatalyzed growth of carbon nanostructures occurs mainly through two modes, i.e., base growth when the metal nanoparticle remains at the bottom of the nanotube, or when it is lifted by the growing carbon nanostructure due to tip growth. A correct prediction of the dominant growth mode depends on the energy gain due to the addition of C atoms from the carbon-metal catalyst solution to the graphene sheets forming the carbon nanostructures. We determine this energy gain through atomistic scale molecular dynamics simulations. Our results suggest tip growth for Ni and base growth for Fe catalysts. (c) 2008 American Institute of Physics.en
dc.format.mimetypeapplication/pdfen
dc.identifier.citationBanerjee, Soumik; Naha, Sayangdev; Puri, Ishwar K., "Molecular simulation of the carbon nanotube growth mode during catalytic synthesis," Appl. Phys. Lett. 92, 233121 (2008); http://dx.doi.org/10.1063/1.2945798en
dc.identifier.doihttps://doi.org/10.1063/1.2945798en
dc.identifier.issn0003-6951en
dc.identifier.urihttp://hdl.handle.net/10919/47394en
dc.identifier.urlhttp://scitation.aip.org/content/aip/journal/apl/92/23/10.1063/1.2945798en
dc.language.isoen_USen
dc.publisherAIP Publishingen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectChemical-vapor-depositionen
dc.subjectFilamentous carbonen
dc.subjectKineticsen
dc.subjectMechanismsen
dc.subjectEnergyen
dc.subjectFielden
dc.subjectIronen
dc.subjectCh4en
dc.titleMolecular simulation of the carbon nanotube growth mode during catalytic synthesisen
dc.title.serialApplied Physics Lettersen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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