Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Krasheninnikov, A. V.
dc.contributor.author Nordlund, K.
dc.contributor.author Lehtinen, P. O.
dc.contributor.author Foster, Adam S.
dc.contributor.author Ayuela, A.
dc.contributor.author Nieminen, Risto M.
dc.date.accessioned 2015-07-30T09:01:34Z
dc.date.available 2015-07-30T09:01:34Z
dc.date.issued 2004
dc.identifier.citation Krasheninnikov, A. V. & Nordlund, K. & Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Nieminen, Risto M. 2004. Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies. Physical Review B. Volume 69, Issue 7. 073402/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.073402. en
dc.identifier.issn 1550-235X (electronic)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/17311
dc.description.abstract We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon adatom on a flat graphene sheet inappropriate. Calculated migration energies for the adatoms agree well with the activation energies obtained from experiments on annealing of irradiation damage in single-walled nanotubes and attributed to single carbon interstitials. en
dc.format.extent 073402/1-4
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 69, Issue 7
dc.rights © 2004 American Physical Society (APS). This is the accepted version of the following article: Krasheninnikov, A. V. & Nordlund, K. & Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Nieminen, Risto M. 2004. Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies. Physical Review B. Volume 69, Issue 7. 073402/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.073402, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.073402. en
dc.subject.other Physics en
dc.title Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS)
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword carbon nanotubes en
dc.subject.keyword carbon adatoms en
dc.identifier.urn URN:NBN:fi:aalto-201507303941
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physrevb.69.073402
dc.type.version Final published version en


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