Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance?
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Repositório Institucional da UNIFESP |
Texto Completo: | https://doi.org/10.1039/C8NJ04399J https://repositorio.unifesp.br/handle/11600/51809 |
Resumo: | An electric double layer ultracapacitor stores energy in an electric double layer formed near its electrolyte/electrode interfaces. Graphene-based ultracapacitors, because of their outstanding performance, have attracted significant research interest. Optimization of ultracapacitor performance requires understanding the correlation of molecular characteristic of the device (such as structure, inter-ionic and ion-electrode interactions) with its macroscopic properties. Herein, we report molecular dynamics study of how an ionic volume impacts a double-layer capacitance. Four systems were probed: large cation + large anion, large cation + small anion, small cation + large anion, small cation + small anion. Our results show that the structuring of the ionic liquid is driven by the electrolyte-electrode interactions in the ultracapacitor, which are predominantly of the van der Waals type. Storage density energies are similar for all ultracapacitors, being in the range of 24 to 28 J cm-3 at 5.0V. Our results present a comparative analysis of the performances of four different ILs confined between two graphene electrodes. Although the best performance has been observed for the IL with ions (cations and anions) of equal sizes, no definite conclusion about the correlation of the performance to the ionic size ratio can be made from the present study. |
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Chaban, Vitaly V.Andreeva, Nadezha A.Eudes, Fileti [UNIFESP]http://lattes.cnpq.br/52949298293003252020-01-21T12:44:32Z2020-01-21T12:44:32Z2018-04-21https://doi.org/10.1039/C8NJ04399JNew Journal of Chemistry, v. 42, n. 22, p. 18409-18417, 2018.1369-9261https://repositorio.unifesp.br/handle/11600/51809https://doi.org/10.1039/C8NJ04399JAn electric double layer ultracapacitor stores energy in an electric double layer formed near its electrolyte/electrode interfaces. Graphene-based ultracapacitors, because of their outstanding performance, have attracted significant research interest. Optimization of ultracapacitor performance requires understanding the correlation of molecular characteristic of the device (such as structure, inter-ionic and ion-electrode interactions) with its macroscopic properties. Herein, we report molecular dynamics study of how an ionic volume impacts a double-layer capacitance. Four systems were probed: large cation + large anion, large cation + small anion, small cation + large anion, small cation + small anion. Our results show that the structuring of the ionic liquid is driven by the electrolyte-electrode interactions in the ultracapacitor, which are predominantly of the van der Waals type. Storage density energies are similar for all ultracapacitors, being in the range of 24 to 28 J cm-3 at 5.0V. Our results present a comparative analysis of the performances of four different ILs confined between two graphene electrodes. Although the best performance has been observed for the IL with ions (cations and anions) of equal sizes, no definite conclusion about the correlation of the performance to the ionic size ratio can be made from the present study.Instituto de Ciência e Tecnologia, Universidade Federal de São Paulo, São José dos Campos, SP, BrazilP.E.S., Vasilievsky Island, Saint Petersburg, Leningrad Oblast, Russian FederationDepartment of Physics, St. Petersburg State University, St. Petersburg, Russian FederationInstituto de Ciência e Tecnologia, Universidade Federal de São Paulo, São José dos Campos, SP, Brazil18409-18417porRSCNew Jounal of ChemistrySupercapacitorsmolecular dynamicsionic liquidsGraphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance?info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article22info:eu-repo/semantics/openAccessreponame:Repositório Institucional da UNIFESPinstname:Universidade Federal de São Paulo 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Repositório InstitucionalPUBhttp://www.repositorio.unifesp.br/oai/requestopendoar:34652023-06-05T22:10:18Repositório Institucional da UNIFESP - Universidade Federal de São Paulo (UNIFESP)false |
dc.title.pt_BR.fl_str_mv |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
title |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
spellingShingle |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? Chaban, Vitaly V. Supercapacitors molecular dynamics ionic liquids |
title_short |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
title_full |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
title_fullStr |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
title_full_unstemmed |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
title_sort |
Graphene/Ionic Liquid Ultracapacitors: Does Ionic Size Correlate with Storage Energy Performance? |
author |
Chaban, Vitaly V. |
author_facet |
Chaban, Vitaly V. Andreeva, Nadezha A. Eudes, Fileti [UNIFESP] |
author_role |
author |
author2 |
Andreeva, Nadezha A. Eudes, Fileti [UNIFESP] |
author2_role |
author author |
dc.contributor.authorLattes.pt_BR.fl_str_mv |
http://lattes.cnpq.br/5294929829300325 |
dc.contributor.author.fl_str_mv |
Chaban, Vitaly V. Andreeva, Nadezha A. Eudes, Fileti [UNIFESP] |
dc.subject.por.fl_str_mv |
Supercapacitors molecular dynamics ionic liquids |
topic |
Supercapacitors molecular dynamics ionic liquids |
description |
An electric double layer ultracapacitor stores energy in an electric double layer formed near its electrolyte/electrode interfaces. Graphene-based ultracapacitors, because of their outstanding performance, have attracted significant research interest. Optimization of ultracapacitor performance requires understanding the correlation of molecular characteristic of the device (such as structure, inter-ionic and ion-electrode interactions) with its macroscopic properties. Herein, we report molecular dynamics study of how an ionic volume impacts a double-layer capacitance. Four systems were probed: large cation + large anion, large cation + small anion, small cation + large anion, small cation + small anion. Our results show that the structuring of the ionic liquid is driven by the electrolyte-electrode interactions in the ultracapacitor, which are predominantly of the van der Waals type. Storage density energies are similar for all ultracapacitors, being in the range of 24 to 28 J cm-3 at 5.0V. Our results present a comparative analysis of the performances of four different ILs confined between two graphene electrodes. Although the best performance has been observed for the IL with ions (cations and anions) of equal sizes, no definite conclusion about the correlation of the performance to the ionic size ratio can be made from the present study. |
publishDate |
2018 |
dc.date.issued.fl_str_mv |
2018-04-21 |
dc.date.accessioned.fl_str_mv |
2020-01-21T12:44:32Z |
dc.date.available.fl_str_mv |
2020-01-21T12:44:32Z |
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.pt_BR.fl_str_mv |
https://doi.org/10.1039/C8NJ04399J |
dc.identifier.citation.fl_str_mv |
New Journal of Chemistry, v. 42, n. 22, p. 18409-18417, 2018. |
dc.identifier.uri.fl_str_mv |
https://repositorio.unifesp.br/handle/11600/51809 |
dc.identifier.issn.pt_BR.fl_str_mv |
1369-9261 |
dc.identifier.doi.none.fl_str_mv |
https://doi.org/10.1039/C8NJ04399J |
url |
https://doi.org/10.1039/C8NJ04399J https://repositorio.unifesp.br/handle/11600/51809 |
identifier_str_mv |
New Journal of Chemistry, v. 42, n. 22, p. 18409-18417, 2018. 1369-9261 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.ispartof.pt_BR.fl_str_mv |
New Jounal of Chemistry |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
18409-18417 |
dc.publisher.none.fl_str_mv |
RSC |
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