Reaction kinetics of bond rotations in graphene

Stephen T. Skowron; Victor O. Koroteev; Matteo Baldoni; Sergei Lopatin; Amaia Zurutuza; Andrey Chuvilin; Elena Besley

doi:10.1016/j.carbon.2016.04.020

Reaction kinetics of bond rotations in graphene

Stephen T. Skowron, Victor O. Koroteev, Matteo Baldoni, Sergei Lopatin, Amaia Zurutuza, Andrey Chuvilin, Elena Besley

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

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.

Original language	English (US)
Pages (from-to)	176-182
Number of pages	7
Journal	Carbon
Volume	105
DOIs	https://doi.org/10.1016/j.carbon.2016.04.020
State	Published - Apr 12 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: 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.

ASJC Scopus subject areas

General Chemistry

Access to Document

10.1016/j.carbon.2016.04.020

https://repository.kaust.edu.sa/bitstream/10754/605181/2/1-s2.0-S0008622316302810-main.pdf

Cite this

@article{c02cba410b9447c0ae32c90f5a7b27d2,

title = "Reaction kinetics of bond rotations in graphene",

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.",

author = "Skowron, {Stephen T.} and Koroteev, {Victor O.} and Matteo Baldoni and Sergei Lopatin and Amaia Zurutuza and Andrey Chuvilin and Elena Besley",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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.",

year = "2016",

month = apr,

day = "12",

doi = "10.1016/j.carbon.2016.04.020",

language = "English (US)",

volume = "105",

pages = "176--182",

journal = "Carbon",

issn = "0008-6223",

publisher = "Elsevier Ltd",

}

TY - JOUR

T1 - Reaction kinetics of bond rotations in graphene

AU - Skowron, Stephen T.

AU - Koroteev, Victor O.

AU - Baldoni, Matteo

AU - Lopatin, Sergei

AU - Zurutuza, Amaia

AU - Chuvilin, Andrey

AU - Besley, Elena

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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.

PY - 2016/4/12

Y1 - 2016/4/12

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/605181

UR - http://linkinghub.elsevier.com/retrieve/pii/S0008622316302810

UR - http://www.scopus.com/inward/record.url?scp=84964413129&partnerID=8YFLogxK

U2 - 10.1016/j.carbon.2016.04.020

DO - 10.1016/j.carbon.2016.04.020

M3 - Article

SN - 0008-6223

VL - 105

SP - 176

EP - 182

JO - Carbon

JF - Carbon

ER -

Reaction kinetics of bond rotations in graphene

Abstract

Bibliographical note

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this