Screening of ions in carbon and gold nanotubes: A theoretical study

Autores
Goduljan, Aleksej; Juarez, Maria Fernanda; Mohammadzadeh, Leila; Quaino, Paola Monica; Santos, Elizabeth del Carmen; Schmickler, Wolfgang
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We examine the insertion of alkali ions into narrow nanotubes of graphite and gold by density functional theory. The surrounding tubes screen the ionic charge very effectively; the resulting image energy compensates well for the loss of solvation. In addition, ion–ion interactions are strongly reduced. These effects are stronger for gold than for graphite tubes. Our results explain at an atomic level, why narrow tubes store charge so effectively
Fil: Goduljan, Aleksej. Universitat Ulm; Alemania
Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Mohammadzadeh, Leila. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania
Materia
Nanotubes
Charge Storage
Dft
Image Charge
Screening
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/31036
Acceder
id CONICETDig_583969fc365fae8cd6ed72ec9c641bd9
oai_identifier_str oai:ri.conicet.gov.ar:11336/31036
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Screening of ions in carbon and gold nanotubes: A theoretical studyGoduljan, AleksejJuarez, Maria FernandaMohammadzadeh, LeilaQuaino, Paola MonicaSantos, Elizabeth del CarmenSchmickler, WolfgangNanotubesCharge StorageDftImage ChargeScreeninghttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We examine the insertion of alkali ions into narrow nanotubes of graphite and gold by density functional theory. The surrounding tubes screen the ionic charge very effectively; the resulting image energy compensates well for the loss of solvation. In addition, ion–ion interactions are strongly reduced. These effects are stronger for gold than for graphite tubes. Our results explain at an atomic level, why narrow tubes store charge so effectivelyFil: Goduljan, Aleksej. Universitat Ulm; AlemaniaFil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Mohammadzadeh, Leila. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Schmickler, Wolfgang. Universitat Ulm; AlemaniaElsevier2014-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31036Goduljan, Aleksej; Juarez, Maria Fernanda; Mohammadzadeh, Leila; Quaino, Paola Monica; Santos, Elizabeth del Carmen; et al.; Screening of ions in carbon and gold nanotubes: A theoretical study; Elsevier; Electrochemistry Communications; 45; 5-2014; 48-511388-2481CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.elecom.2014.05.014info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1388248114001465info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:53:54Zoai:ri.conicet.gov.ar:11336/31036instacron: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:34982025-11-12 09:53:54.789CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Screening of ions in carbon and gold nanotubes: A theoretical study
title Screening of ions in carbon and gold nanotubes: A theoretical study
spellingShingle Screening of ions in carbon and gold nanotubes: A theoretical study
Goduljan, Aleksej
Nanotubes
Charge Storage
Dft
Image Charge
Screening
title_short Screening of ions in carbon and gold nanotubes: A theoretical study
title_full Screening of ions in carbon and gold nanotubes: A theoretical study
title_fullStr Screening of ions in carbon and gold nanotubes: A theoretical study
title_full_unstemmed Screening of ions in carbon and gold nanotubes: A theoretical study
title_sort Screening of ions in carbon and gold nanotubes: A theoretical study
dc.creator.none.fl_str_mv Goduljan, Aleksej
Juarez, Maria Fernanda
Mohammadzadeh, Leila
Quaino, Paola Monica
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author Goduljan, Aleksej
author_facet Goduljan, Aleksej
Juarez, Maria Fernanda
Mohammadzadeh, Leila
Quaino, Paola Monica
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author_role author
author2 Juarez, Maria Fernanda
Mohammadzadeh, Leila
Quaino, Paola Monica
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Nanotubes
Charge Storage
Dft
Image Charge
Screening
topic Nanotubes
Charge Storage
Dft
Image Charge
Screening
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We examine the insertion of alkali ions into narrow nanotubes of graphite and gold by density functional theory. The surrounding tubes screen the ionic charge very effectively; the resulting image energy compensates well for the loss of solvation. In addition, ion–ion interactions are strongly reduced. These effects are stronger for gold than for graphite tubes. Our results explain at an atomic level, why narrow tubes store charge so effectively
Fil: Goduljan, Aleksej. Universitat Ulm; Alemania
Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Mohammadzadeh, Leila. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania
description We examine the insertion of alkali ions into narrow nanotubes of graphite and gold by density functional theory. The surrounding tubes screen the ionic charge very effectively; the resulting image energy compensates well for the loss of solvation. In addition, ion–ion interactions are strongly reduced. These effects are stronger for gold than for graphite tubes. Our results explain at an atomic level, why narrow tubes store charge so effectively
publishDate 2014
dc.date.none.fl_str_mv 2014-05
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/11336/31036
Goduljan, Aleksej; Juarez, Maria Fernanda; Mohammadzadeh, Leila; Quaino, Paola Monica; Santos, Elizabeth del Carmen; et al.; Screening of ions in carbon and gold nanotubes: A theoretical study; Elsevier; Electrochemistry Communications; 45; 5-2014; 48-51
1388-2481
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31036
identifier_str_mv Goduljan, Aleksej; Juarez, Maria Fernanda; Mohammadzadeh, Leila; Quaino, Paola Monica; Santos, Elizabeth del Carmen; et al.; Screening of ions in carbon and gold nanotubes: A theoretical study; Elsevier; Electrochemistry Communications; 45; 5-2014; 48-51
1388-2481
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.elecom.2014.05.014
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1388248114001465
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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
_version_ 1848598237333684224
score 12.976206

Publicaciones similares