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

Tsetseris, L; Pantelides, ST

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