Conductance through glycine in a graphene nanogap

Detalhes bibliográficos
Autor(a) principal: Chaudhuri, Puspitapallab [UNESP]
Data de Publicação: 2018
Outros Autores: Frota, H. O., Mota, Cicero, Ghosh, Angsula
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1007/s11051-018-4254-y
http://hdl.handle.net/11449/164294
Resumo: We report theoretical analysis of charge transport process through a single glycine molecule utilizing graphene nanogaps. Density functional theory and non-equilibrium Green's function method are employed to investigate the transport properties of glycine inside the gap. The projected density of states, transmittance, and the current-voltage characteristics are determined with changes in the molecular orientation inside the nanogap of c.a 0.8 nm. The current values demonstrate a high sensitivity on the orientation of the molecule. The conductance of the molecule is also dependent on the voltage.
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spelling Conductance through glycine in a graphene nanogapGlycineGraphene nanogapDFTMolecular electronicsNanoelectronicsModeling and simulationWe report theoretical analysis of charge transport process through a single glycine molecule utilizing graphene nanogaps. Density functional theory and non-equilibrium Green's function method are employed to investigate the transport properties of glycine inside the gap. The projected density of states, transmittance, and the current-voltage characteristics are determined with changes in the molecular orientation inside the nanogap of c.a 0.8 nm. The current values demonstrate a high sensitivity on the orientation of the molecule. The conductance of the molecule is also dependent on the voltage.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Univ Fed Amazonas, Dept Phys, BR-69077000 Manaus, Amazonas, BrazilUniv Fed Amazonas, Dept Math, BR-69077000 Manaus, Amazonas, BrazilUniv Sao Paulo, Inst Phys, BR-05508090 Sao Paulo, SP, BrazilSao Paulo State Univ, Inst Theoret Phys, Sao Paulo, SP, BrazilSao Paulo State Univ, Inst Theoret Phys, Sao Paulo, SP, BrazilSpringerUniv Fed AmazonasUniversidade de São Paulo (USP)Universidade Estadual Paulista (Unesp)Chaudhuri, Puspitapallab [UNESP]Frota, H. O.Mota, CiceroGhosh, Angsula2018-11-26T17:52:01Z2018-11-26T17:52:01Z2018-06-08info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article11application/pdfhttp://dx.doi.org/10.1007/s11051-018-4254-yJournal Of Nanoparticle Research. Dordrecht: Springer, v. 20, n. 6, 11 p., 2018.1388-0764http://hdl.handle.net/11449/16429410.1007/s11051-018-4254-yWOS:000434709500001WOS000434709500001.pdfWeb of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal Of Nanoparticle Research0,528info:eu-repo/semantics/openAccess2024-01-15T06:17:51Zoai:repositorio.unesp.br:11449/164294Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-01-15T06:17:51Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Conductance through glycine in a graphene nanogap
title Conductance through glycine in a graphene nanogap
spellingShingle Conductance through glycine in a graphene nanogap
Chaudhuri, Puspitapallab [UNESP]
Glycine
Graphene nanogap
DFT
Molecular electronics
Nanoelectronics
Modeling and simulation
title_short Conductance through glycine in a graphene nanogap
title_full Conductance through glycine in a graphene nanogap
title_fullStr Conductance through glycine in a graphene nanogap
title_full_unstemmed Conductance through glycine in a graphene nanogap
title_sort Conductance through glycine in a graphene nanogap
author Chaudhuri, Puspitapallab [UNESP]
author_facet Chaudhuri, Puspitapallab [UNESP]
Frota, H. O.
Mota, Cicero
Ghosh, Angsula
author_role author
author2 Frota, H. O.
Mota, Cicero
Ghosh, Angsula
author2_role author
author
author
dc.contributor.none.fl_str_mv Univ Fed Amazonas
Universidade de São Paulo (USP)
Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Chaudhuri, Puspitapallab [UNESP]
Frota, H. O.
Mota, Cicero
Ghosh, Angsula
dc.subject.por.fl_str_mv Glycine
Graphene nanogap
DFT
Molecular electronics
Nanoelectronics
Modeling and simulation
topic Glycine
Graphene nanogap
DFT
Molecular electronics
Nanoelectronics
Modeling and simulation
description We report theoretical analysis of charge transport process through a single glycine molecule utilizing graphene nanogaps. Density functional theory and non-equilibrium Green's function method are employed to investigate the transport properties of glycine inside the gap. The projected density of states, transmittance, and the current-voltage characteristics are determined with changes in the molecular orientation inside the nanogap of c.a 0.8 nm. The current values demonstrate a high sensitivity on the orientation of the molecule. The conductance of the molecule is also dependent on the voltage.
publishDate 2018
dc.date.none.fl_str_mv 2018-11-26T17:52:01Z
2018-11-26T17:52:01Z
2018-06-08
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1007/s11051-018-4254-y
Journal Of Nanoparticle Research. Dordrecht: Springer, v. 20, n. 6, 11 p., 2018.
1388-0764
http://hdl.handle.net/11449/164294
10.1007/s11051-018-4254-y
WOS:000434709500001
WOS000434709500001.pdf
url http://dx.doi.org/10.1007/s11051-018-4254-y
http://hdl.handle.net/11449/164294
identifier_str_mv Journal Of Nanoparticle Research. Dordrecht: Springer, v. 20, n. 6, 11 p., 2018.
1388-0764
10.1007/s11051-018-4254-y
WOS:000434709500001
WOS000434709500001.pdf
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Journal Of Nanoparticle Research
0,528
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 11
application/pdf
dc.publisher.none.fl_str_mv Springer
publisher.none.fl_str_mv Springer
dc.source.none.fl_str_mv Web of Science
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
_version_ 1803047334152503296

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