Molecular doping of graphene with ammonium groups

Tsetseris, L; Pantelides, ST

dc.contributor.author	Tsetseris, L	en
dc.contributor.author	Pantelides, ST	en
dc.date.accessioned	2014-03-01T02:11:27Z
dc.date.available	2014-03-01T02:11:27Z
dc.date.issued	2012	en
dc.identifier.issn	10980121	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/29906
dc.title	Molecular doping of graphene with ammonium groups	en
heal.type	journalArticle	en
heal.identifier.primary	10.1103/PhysRevB.85.155446	en
heal.identifier.secondary	http://dx.doi.org/10.1103/PhysRevB.85.155446	en
heal.identifier.secondary	155446	en
heal.publicationDate	2012	en
heal.abstract	Successful doping of an electronic material entails the existence of stable dopant configurations that cause a shift in the Fermi level without altering significantly the electronic states of the host system. The selection of chemical groups that satisfy these conditions when adsorbed on graphene is still an open challenge. Here we show with first-principles calculations that ammonium groups meet the criteria of stable physisorption and efficient doping of graphene. We also describe processes of deactivation of ammonium dopants through their dissociation over graphene impurities or nanoribbon edges. Finally, we show that carbon nanotubes can be used to spatially confine the dopants and avert their edge-related de-activation. © 2012 American Physical Society.	en
heal.journalName	Physical Review B - Condensed Matter and Materials Physics	en
dc.identifier.doi	10.1103/PhysRevB.85.155446	en
dc.identifier.volume	85	en
dc.identifier.issue	15	en