Reaction kinetics of bond rotations in graphene

Handle URI:
http://hdl.handle.net/10754/605181
Title:
Reaction kinetics of bond rotations in graphene
Authors:
Skowron, Stephen T.; Koroteev, Victor O.; Baldoni, Matteo; Lopatin, Sergei; Zurutuza, Amaia; Chuvilin, Andrey; Besley, Elena
Abstract:
The 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.
KAUST Department:
Electron Microscopy
Citation:
Reaction kinetics of bond rotations in graphene 2016 Carbon
Publisher:
Elsevier BV
Journal:
Carbon
Issue Date:
12-Apr-2016
DOI:
10.1016/j.carbon.2016.04.020
Type:
Article
ISSN:
00086223
Sponsors:
E.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.
Additional Links:
http://linkinghub.elsevier.com/retrieve/pii/S0008622316302810
Appears in Collections:
Articles

Full metadata record

DC FieldValue Language
dc.contributor.authorSkowron, Stephen T.en
dc.contributor.authorKoroteev, Victor O.en
dc.contributor.authorBaldoni, Matteoen
dc.contributor.authorLopatin, Sergeien
dc.contributor.authorZurutuza, Amaiaen
dc.contributor.authorChuvilin, Andreyen
dc.contributor.authorBesley, Elenaen
dc.date.accessioned2016-04-13T13:03:24Zen
dc.date.available2016-04-13T13:03:24Zen
dc.date.issued2016-04-12en
dc.identifier.citationReaction kinetics of bond rotations in graphene 2016 Carbonen
dc.identifier.issn00086223en
dc.identifier.doi10.1016/j.carbon.2016.04.020en
dc.identifier.urihttp://hdl.handle.net/10754/605181en
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.en
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.en
dc.language.isoenen
dc.publisherElsevier BVen
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S0008622316302810en
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.2016.04.020en
dc.titleReaction kinetics of bond rotations in grapheneen
dc.typeArticleen
dc.contributor.departmentElectron Microscopyen
dc.identifier.journalCarbonen
dc.eprint.versionPost-printen
dc.contributor.institutionSchool of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UKen
dc.contributor.institutionNikolaev Institute of Inorganic Chemistry, SB RAS, Lavrentiev ave. 3, 630090, Novosibirsk, Russiaen
dc.contributor.institutionNovosibirsk State University, Pirogova st. 2, 630090, Novosibirsk, Russiaen
dc.contributor.institutionGraphenea S.A., Tolosa Hiribidea 76, 20018, Donostia-San Sebasti´an, Spainen
dc.contributor.institutionCIC nanoGUNE Consolider, Av. de Tolosa 76, E-20018, Donostia-San Sebastian, Spainen
dc.contributor.institutionIKERBASQUE Basque Foundation for Science, E-48013, Bilbao, Spainen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorLopatin, Sergeien
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