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

Krasheninnikov, A. V.; Nordlund, K.; Lehtinen, P. O.; Foster, Adam S.; Ayuela, A.; Nieminen, Risto M.

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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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