On determining defects identity in carbon nanotubes using charge probes

A metallic carbon nanotube with point-like defects under influence of a local potential due to a point charge probe is theoretically studied. A combination of density functional theory and the Landauer-Büttiker formalism is used to compute the electronic conductance in the zero-voltage limit. From a...

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Autores: Kostyrko, Tomasz, García-Suárez, Víctor M., Wawrzyniak-Adamczewska, M., Ferrer, Jaime
Tipo de recurso: artículo
Estado:Versión enviada para evaluación y publicación
Fecha de publicación:2016
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/137526
Acceso en línea:http://hdl.handle.net/10261/137526
Access Level:acceso abierto
Palabra clave:Defects
Scanning probe microscopy
Electronic conductance
Density functional theory
Carbon nanotubes
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spelling On determining defects identity in carbon nanotubes using charge probesKostyrko, TomaszGarcía-Suárez, Víctor M.Wawrzyniak-Adamczewska, M.Ferrer, JaimeDefectsScanning probe microscopyElectronic conductanceDensity functional theoryCarbon nanotubesA metallic carbon nanotube with point-like defects under influence of a local potential due to a point charge probe is theoretically studied. A combination of density functional theory and the Landauer-Büttiker formalism is used to compute the electronic conductance in the zero-voltage limit. From a collection of the results obtained by varying the probe position around different defects the conductance maps are created. The analysis of the conductance maps allows us to formulate conditions under which several point-like defects (the Stone-Wales defect, a simple carbon vacancy, hydrogen-passivated vacancies) can be distinguished and identified in experiments with the help of scanning probe microscopy.This work has been supported by the National Science Centre under the contract DEC-2012/07/B/ST3/03412. We acknowledge that the results of this research have been achieved using the PRACE-3IP project (FP7 RI-312763) resource JUROPA based in Germany at Julich. We also thank the Spanish MICINN for the Grant No. FIS2012-34858 (V.M.G.S. and J.F.) and the Ramón y Cajal Fellowship No. RYC-2010-06053 (V.M.G.S.).Peer ReviewedElsevierNational Science Centre (Poland)European CommissionMinisterio de Ciencia e Innovación (España)Consejo Superior de Investigaciones Científicas (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2016201620162016info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Preprintinfo:eu-repo/semantics/submittedVersionhttp://hdl.handle.net/10261/137526reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/EC/FP7/312763http://dx.doi.org/10.1016/j.apsusc.2015.10.155Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1375262026-05-22T06:33:51Z
dc.title.none.fl_str_mv On determining defects identity in carbon nanotubes using charge probes
title On determining defects identity in carbon nanotubes using charge probes
spellingShingle On determining defects identity in carbon nanotubes using charge probes
Kostyrko, Tomasz
Defects
Scanning probe microscopy
Electronic conductance
Density functional theory
Carbon nanotubes
title_short On determining defects identity in carbon nanotubes using charge probes
title_full On determining defects identity in carbon nanotubes using charge probes
title_fullStr On determining defects identity in carbon nanotubes using charge probes
title_full_unstemmed On determining defects identity in carbon nanotubes using charge probes
title_sort On determining defects identity in carbon nanotubes using charge probes
dc.creator.none.fl_str_mv Kostyrko, Tomasz
García-Suárez, Víctor M.
Wawrzyniak-Adamczewska, M.
Ferrer, Jaime
author Kostyrko, Tomasz
author_facet Kostyrko, Tomasz
García-Suárez, Víctor M.
Wawrzyniak-Adamczewska, M.
Ferrer, Jaime
author_role author
author2 García-Suárez, Víctor M.
Wawrzyniak-Adamczewska, M.
Ferrer, Jaime
author2_role author
author
author
dc.contributor.none.fl_str_mv National Science Centre (Poland)
European Commission
Ministerio de Ciencia e Innovación (España)
Consejo Superior de Investigaciones Científicas (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Defects
Scanning probe microscopy
Electronic conductance
Density functional theory
Carbon nanotubes
topic Defects
Scanning probe microscopy
Electronic conductance
Density functional theory
Carbon nanotubes
description A metallic carbon nanotube with point-like defects under influence of a local potential due to a point charge probe is theoretically studied. A combination of density functional theory and the Landauer-Büttiker formalism is used to compute the electronic conductance in the zero-voltage limit. From a collection of the results obtained by varying the probe position around different defects the conductance maps are created. The analysis of the conductance maps allows us to formulate conditions under which several point-like defects (the Stone-Wales defect, a simple carbon vacancy, hydrogen-passivated vacancies) can be distinguished and identified in experiments with the help of scanning probe microscopy.
publishDate 2016
dc.date.none.fl_str_mv 2016
2016
2016
2016
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Preprint
info:eu-repo/semantics/submittedVersion
format article
status_str submittedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/137526
url http://hdl.handle.net/10261/137526
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/EC/FP7/312763
http://dx.doi.org/10.1016/j.apsusc.2015.10.155
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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