Graphene nano-ribbon formation through hydrogen-induced unzipping of carbon nanotubes

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dc.contributor.author Tsetseris, L en
dc.contributor.author Pantelides, ST en
dc.date.accessioned 2014-03-01T01:35:46Z
dc.date.available 2014-03-01T01:35:46Z
dc.date.issued 2011 en
dc.identifier.issn 0003-6951 en
dc.identifier.uri https://dspace.lib.ntua.gr/xmlui/handle/123456789/21187
dc.subject ab initio calculations en
dc.subject bonds (chemical) en
dc.subject carbon nanotubes en
dc.subject chirality en
dc.subject graphene en
dc.subject nanofabrication en
dc.subject surface morphology en
dc.subject.classification Physics, Applied en
dc.subject.other C-C bonds en
dc.subject.other First-principles calculation en
dc.subject.other Graphene nano-ribbon en
dc.subject.other Hydrogen loadings en
dc.subject.other Residual oxygen impurities en
dc.subject.other Calculations en
dc.subject.other Carbon nanotubes en
dc.subject.other Graphene en
dc.subject.other Oxygen en
dc.subject.other Stereochemistry en
dc.subject.other Hydrogen en
dc.title Graphene nano-ribbon formation through hydrogen-induced unzipping of carbon nanotubes en
heal.type journalArticle en
heal.identifier.primary 10.1063/1.3648105 en
heal.identifier.secondary http://dx.doi.org/10.1063/1.3648105 en
heal.identifier.secondary 143119 en
heal.language English en
heal.publicationDate 2011 en
heal.abstract Longitudinal unzipping of carbon nanotubes (CNTs) can create graphene nano-ribbons (GNRs) with predetermined width. Experiments have used thus far an oxidative-induced unzipping approach that produces residual oxygen impurities. Here, we employ results of first-principles calculations to demonstrate an alternative scenario of GNR formation. We show that hydrogen loading at open CNT ends leads to successive C-C bond breaking and opening of CNTs to GNRs with edge morphologies that depend on CNT chirality. We also show that re-zipping of partially open CNTs can lead to new type of materials, for example, CNTs with lines of oxygen inter-carbon bridges. (C) 2011 American Institute of Physics. [doi:10.1063/1.3648105] en
heal.publisher AMER INST PHYSICS en
heal.journalName Applied Physics Letters en
dc.identifier.doi 10.1063/1.3648105 en
dc.identifier.isi ISI:000295625100085 en
dc.identifier.volume 99 en
dc.identifier.issue 14 en

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