Atomic-scale mechanisms of growth and doping of graphene nano-ribbons

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dc.contributor.author Tsetseris, L en
dc.contributor.author Pantelides, ST en
dc.date.accessioned 2014-03-01T02:52:54Z
dc.date.available 2014-03-01T02:52:54Z
dc.date.issued 2011 en
dc.identifier.issn 19385862 en
dc.identifier.uri https://dspace.lib.ntua.gr/xmlui/handle/123456789/36137
dc.subject.other Atomic-scale mechanisms en
dc.subject.other Basal planes en
dc.subject.other C-C bonds en
dc.subject.other Complex dynamics en
dc.subject.other Experimental data en
dc.subject.other First-principles en
dc.subject.other Graphene nanoribbons en
dc.subject.other Hydrogen atoms en
dc.subject.other Nanoelectronic devices en
dc.subject.other Open-ended carbon nanotubes en
dc.subject.other Quantum-mechanical study en
dc.subject.other Ammonia en
dc.subject.other Atomic physics en
dc.subject.other Carbon nanotubes en
dc.subject.other Dielectric materials en
dc.subject.other Electronic properties en
dc.subject.other Growth (materials) en
dc.subject.other Photonics en
dc.subject.other Graphene en
dc.title Atomic-scale mechanisms of growth and doping of graphene nano-ribbons en
heal.type conferenceItem en
heal.identifier.primary 10.1149/1.3633022 en
heal.identifier.secondary http://dx.doi.org/10.1149/1.3633022 en
heal.publicationDate 2011 en
heal.abstract Control over structural and electronic properties of graphene samples is necessary for the fabrication of nano-electronic devices. Here we report the results of first-principles quantum-mechanical studies on the growth and doping of graphene nanoribbons (GNR). We find that hydrogenation of open-ended carbon nanotubes (CNT) can lead to successive breaking of tip C-C bonds. If enough hydrogen atoms are supplied then the CNTs unzip to GNRs with specific widths and edge morphologies. We also examine the possibilities that ammonia-related species can inject carriers in graphene. We show that NH3 molecules have a complex dynamics on graphene. Annealing in ammonia can result in the formation of donors on the graphene basal plane, or the de-activation of dopants on graphene and at GNR edges. The results explain available experimental data and suggest new ways to optimize the properties and performance of GNR-based systems. ©The Electrochemical Society. en
heal.journalName ECS Transactions en
dc.identifier.doi 10.1149/1.3633022 en
dc.identifier.volume 41 en
dc.identifier.issue 3 en
dc.identifier.spage 71 en
dc.identifier.epage 75 en

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