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Molecular doping of graphene with ammonium groups

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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 http://hdl.handle.net/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


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