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

Tsetseris, L; Pantelides, ST

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