Adsorption of carbon adatoms to graphene and its nanoribbons

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage13704en_US
dc.citation.issueNumber1en_US
dc.citation.spage13704en_US
dc.citation.volumeNumber109en_US
dc.contributor.authorAtaca, C.en_US
dc.contributor.authorAktürk, E.en_US
dc.contributor.authorŞahin, H.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2015-07-28T11:59:58Z
dc.date.available2015-07-28T11:59:58Z
dc.date.issued2011en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractThis paper investigates the adsorption of carbon adatoms on graphene and its nanoribbons using first-principles plane wave calculations within density functional theory. The stability at high carbon adatom coverage, migration, and cluster formation of carbon atoms are analyzed. Carbon adatoms give rise to important changes in electronic and magnetic properties even at low coverage. While bare graphene is nonmagnetic semimetal, it is metallized and acquires magnetic moment upon coverage of carbon adatoms. Calculated magnetic moments vary depending on the coverage of adatoms even for large adatom-adatom distances. Electronic and magnetic properties of hydrogen passivated armchair and zigzag nanoribbons show strong dependence on the adsorption site. We also predict a new type of carbon impurity defect in graphene, which has a small formation energy. Interactions between distant carbon adatoms imply a long ranged interaction.en_US
dc.identifier.doi10.1063/1.3527067en_US
dc.identifier.issn0021-8979
dc.identifier.urihttp://hdl.handle.net/11693/12086
dc.language.isoEnglishen_US
dc.publisherAIP Publishingen_US
dc.relation.isversionofhttp://dx.doi.org/10.1063/1.3527067en_US
dc.source.titleJournal of Applied Physicsen_US
dc.titleAdsorption of carbon adatoms to graphene and its nanoribbonsen_US
dc.typeArticleen_US
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