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dc.contributor.authorSkowron, Stephen T.
dc.contributor.authorKoroteev, Victor O.
dc.contributor.authorBaldoni, Matteo
dc.contributor.authorLopatin, Sergei
dc.contributor.authorZurutuza, Amaia
dc.contributor.authorChuvilin, Andrey
dc.contributor.authorBesley, Elena
dc.date.accessioned2016-04-13T13:03:24Z
dc.date.available2016-04-13T13:03:24Z
dc.date.issued2016-04-12
dc.identifier.citationReaction kinetics of bond rotations in graphene 2016 Carbon
dc.identifier.issn00086223
dc.identifier.doi10.1016/j.carbon.2016.04.020
dc.identifier.urihttp://hdl.handle.net/10754/605181
dc.description.abstractThe formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.
dc.description.sponsorshipE.B. acknowledges the ERC Consolidator grant. A.C. acknowledges a financial support from FEI Company (Netherlands) within a collaborative project. M. B. and E. B. are grateful to the High Performance Computing (HPC) Facility at the University of Nottingham for providing computational time. A.C. and V.K. acknowledge financial support via FP7-PEOPLE-2011-IRSES N295180 MagNonMag project.
dc.language.isoen
dc.publisherElsevier BV
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S0008622316302810
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Carbon. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Carbon, 12 April 2016. DOI: 10.1016/j.carbon.2016.04.020
dc.titleReaction kinetics of bond rotations in graphene
dc.typeArticle
dc.contributor.departmentElectron Microscopy
dc.identifier.journalCarbon
dc.eprint.versionPost-print
dc.contributor.institutionSchool of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK
dc.contributor.institutionNikolaev Institute of Inorganic Chemistry, SB RAS, Lavrentiev ave. 3, 630090, Novosibirsk, Russia
dc.contributor.institutionNovosibirsk State University, Pirogova st. 2, 630090, Novosibirsk, Russia
dc.contributor.institutionGraphenea S.A., Tolosa Hiribidea 76, 20018, Donostia-San Sebasti´an, Spain
dc.contributor.institutionCIC nanoGUNE Consolider, Av. de Tolosa 76, E-20018, Donostia-San Sebastian, Spain
dc.contributor.institutionIKERBASQUE Basque Foundation for Science, E-48013, Bilbao, Spain
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personLopatin, Sergei
refterms.dateFOA2018-04-12T00:00:00Z
dc.date.published-online2016-04-12
dc.date.published-print2016-08


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