Hydrogen transport on graphene: Competition of mobility and desorption

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Borodin, V. A.
dc.contributor.author Vehviläinen, T. T.
dc.contributor.author Ganchenkova, M. G.
dc.contributor.author Nieminen, Risto M.
dc.date.accessioned 2015-07-28T09:01:07Z
dc.date.available 2015-07-28T09:01:07Z
dc.date.issued 2011
dc.identifier.citation Borodin, V. A. & Vehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Hydrogen transport on graphene: Competition of mobility and desorption. Physical Review B. Volume 84, Issue 7. 075486/1-15. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.075486. en
dc.identifier.issn 1550-235X (electronic)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/17265
dc.description.abstract The results of molecular dynamics (MD) simulations of atomic hydrogen kinetics on graphene are presented. The simulations involve a combination of approaches based on Brenner carbon-hydrogen potential and first-principles force calculations. Both kinds of MD calculations predict very similar qualitative trends and reproduce equally well the features of hydrogen behavior, even such sophisticated modes as long correlated jump chains. Both approaches agree that chemisorbed hydrogen diffusion on graphene is strongly limited by thermal desorption. This limitation rules out long-range diffusion of hydrogen on graphene but does not exclude the short-range hydrogen diffusion contribution to hydrogen cluster nucleation and growth. en
dc.format.extent 075486/1-15
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 84, Issue 7
dc.rights © 2011 American Physical Society (APS). This is the accepted version of the following article: Borodin, V. A. & Vehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Hydrogen transport on graphene: Competition of mobility and desorption. Physical Review B. Volume 84, Issue 7. 075486/1-15. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.075486, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.075486. en
dc.subject.other Physics en
dc.title Hydrogen transport on graphene: Competition of mobility and desorption 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 graphene en
dc.subject.keyword hydrogen en
dc.subject.keyword diffusion en
dc.subject.keyword mobility en
dc.subject.keyword transport en
dc.subject.keyword molecular dynamics en
dc.identifier.urn URN:NBN:fi:aalto-201507273894
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physrevb.84.075486
dc.type.version Final published version en


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