Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions

Autores
Nozaki, Daijiro; Gomes Da Rocha, Claudia; Pastawski, Horacio Miguel; Cuniberti, Gianaurelio
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
Fil: Nozaki, Daijiro. Technische Universität Dresden; Alemania
Fil: Gomes Da Rocha, Claudia. Technische Universität Dresden; Alemania. Universidad de Jyvaskyla; Finlandia
Fil: Pastawski, Horacio Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Cuniberti, Gianaurelio. Technische Universität Dresden; Alemania. National Center For Nanomaterials Technology; Corea del Sur
Materia
Decoherent quantum transport
Conducting polymers
D'Amato-Pastawski model
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/198103
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/198103
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctionsNozaki, DaijiroGomes Da Rocha, ClaudiaPastawski, Horacio MiguelCuniberti, GianaurelioDecoherent quantum transportConducting polymersD'Amato-Pastawski modelhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.Fil: Nozaki, Daijiro. Technische Universität Dresden; AlemaniaFil: Gomes Da Rocha, Claudia. Technische Universität Dresden; Alemania. Universidad de Jyvaskyla; FinlandiaFil: Pastawski, Horacio Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaFil: Cuniberti, Gianaurelio. Technische Universität Dresden; Alemania. National Center For Nanomaterials Technology; Corea del SurAmerican Physical Society2012-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/198103Nozaki, Daijiro; Gomes Da Rocha, Claudia; Pastawski, Horacio Miguel; Cuniberti, Gianaurelio; Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 85; 15; 4-2012; 155327-1553350556-28051098-0121CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.85.155327info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.85.155327info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:50:32Zoai:ri.conicet.gov.ar:11336/198103instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:50:32.656CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
title Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
spellingShingle Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
Nozaki, Daijiro
Decoherent quantum transport
Conducting polymers
D'Amato-Pastawski model
title_short Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
title_full Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
title_fullStr Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
title_full_unstemmed Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
title_sort Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
dc.creator.none.fl_str_mv Nozaki, Daijiro
Gomes Da Rocha, Claudia
Pastawski, Horacio Miguel
Cuniberti, Gianaurelio
author Nozaki, Daijiro
author_facet Nozaki, Daijiro
Gomes Da Rocha, Claudia
Pastawski, Horacio Miguel
Cuniberti, Gianaurelio
author_role author
author2 Gomes Da Rocha, Claudia
Pastawski, Horacio Miguel
Cuniberti, Gianaurelio
author2_role author
author
author
dc.subject.none.fl_str_mv Decoherent quantum transport
Conducting polymers
D'Amato-Pastawski model
topic Decoherent quantum transport
Conducting polymers
D'Amato-Pastawski model
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
Fil: Nozaki, Daijiro. Technische Universität Dresden; Alemania
Fil: Gomes Da Rocha, Claudia. Technische Universität Dresden; Alemania. Universidad de Jyvaskyla; Finlandia
Fil: Pastawski, Horacio Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Cuniberti, Gianaurelio. Technische Universität Dresden; Alemania. National Center For Nanomaterials Technology; Corea del Sur
description Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
publishDate 2012
dc.date.none.fl_str_mv 2012-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/198103
Nozaki, Daijiro; Gomes Da Rocha, Claudia; Pastawski, Horacio Miguel; Cuniberti, Gianaurelio; Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 85; 15; 4-2012; 155327-155335
0556-2805
1098-0121
CONICET Digital
CONICET
url http://hdl.handle.net/11336/198103
identifier_str_mv Nozaki, Daijiro; Gomes Da Rocha, Claudia; Pastawski, Horacio Miguel; Cuniberti, Gianaurelio; Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 85; 15; 4-2012; 155327-155335
0556-2805
1098-0121
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.85.155327
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.85.155327
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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