Conductance through glycine in a graphene nanogap
Autor(a) principal: | |
---|---|
Data de Publicação: | 2018 |
Outros Autores: | , , |
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. |
id |
UNSP_fae0a2e440d0b03631ab499069e4512d |
---|---|
oai_identifier_str |
oai:repositorio.unesp.br:11449/164294 |
network_acronym_str |
UNSP |
network_name_str |
Repositório Institucional da UNESP |
repository_id_str |
2946 |
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 |