Adatom complexes and self-healing mechanisms on graphene and single-wall carbon nanotubes

Tsetseris, L; Pantelides, S

dc.contributor.author	Tsetseris, L	en
dc.contributor.author	Pantelides, S	en
dc.date.accessioned	2014-03-01T01:57:42Z
dc.date.available	2014-03-01T01:57:42Z
dc.date.issued	2009	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/28479
dc.subject	first-principles calculation	en
dc.subject	High Temperature	en
dc.subject	Point Defect	en
dc.subject	Single Wall Carbon Nanotube	en
dc.title	Adatom complexes and self-healing mechanisms on graphene and single-wall carbon nanotubes	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.carbon.2008.12.002	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.carbon.2008.12.002	en
heal.publicationDate	2009	en
heal.abstract	Point defects play a role in the functionalization, chemical activation, carrier transport, and nano-engineering of graphitic systems. Here, we use first-principles calculations to describe several processes that alter the properties of graphene and single-wall carbon nanotubes (SWCNTs) in the presence of self-interstitials (SI’s). We find that, while two or four SI’s are stabilized in hillock-like structures that stay idle unless	en
heal.journalName	Carbon	en
dc.identifier.doi	10.1016/j.carbon.2008.12.002	en