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dc.contributor.author
Da Silva, Débora A. C.
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Pinzón, Manuel J.
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Messias Da Silva, Andresa
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dc.contributor.author
Fileti, Eudes E.
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Pascon, Aline
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Franco, Débora V.
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Da Silva, Leonardo Morais
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Zanin, Hudson G.
dc.date.available
2023-10-09T12:17:53Z
dc.date.issued
2022-01
dc.identifier.citation
Da Silva, Débora A. C.; Pinzón, Manuel J.; Messias Da Silva, Andresa; Fileti, Eudes E.; Pascon, Aline; et al.; Effect of conductivity, viscosity, and density of water-in-salt electrolytes on the electrochemical behavior of supercapacitors: Molecular dynamics simulations and: In situ characterization studies; Royal Society of Chemistry; Materials Advances; 3; 1; 1-2022; 611-623
dc.identifier.issn
2633-5409
dc.identifier.uri
http://hdl.handle.net/11336/214480
dc.description.abstract
We report here molecular dynamics simulations combined with in situ experimental studies to understand the advantages and disadvantages of replacing conventional (salt-in-water, SiWE) aqueous-based electrolytes with very concentrated (water-in-salt, WiSE) systems in supercapacitors. Atomistic molecular dynamics simulations were employed to investigate the energetic, structural, and transport properties of aqueous electrolytes based on sodium perchlorate (NaClO4). Simulations covered the concentrations range of 1 mol dm-3 (1 mol kg-1) to 8 mol dm-3 (15 mol kg-1), demonstrating a significant increase in viscosity and density and reduction in ionic conductivity as the concentration reaches the WiSE conditions. A carbon-based symmetric supercapacitor filled with WiSE showed a larger electrochemical stability window (ESW), allowing to span the cell voltage and specific energy. Larger ESW values are possible due to the formation of a solvent blocking interface (SBI). The formation of ionic aggregates owing to the increasing cohesive energy in WiSE disturbs the hydrogen-bond network resulting in physicochemical changes in the bulk liquid phase. In addition, the molal ratio between water and ions is decreased, resulting in a low interaction of the water molecules with the electrode at the interface, thus inhibiting the water-splitting considerably.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/
dc.subject
electrolytes
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energy storage
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supercapacitor
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water-in-salt
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
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dc.title
Effect of conductivity, viscosity, and density of water-in-salt electrolytes on the electrochemical behavior of supercapacitors: Molecular dynamics simulations and: In situ characterization studies
dc.type
info:eu-repo/semantics/article
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info:ar-repo/semantics/artículo
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info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-07-10T11:27:16Z
dc.journal.volume
3
dc.journal.number
1
dc.journal.pagination
611-623
dc.journal.pais
Reino Unido
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dc.description.fil
Fil: Da Silva, Débora A. C.. Universidade Estadual de Campinas; Brasil
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Fil: Pinzón, Manuel J.. Universidade Estadual de Campinas; Brasil
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Fil: Messias Da Silva, Andresa. Universidad Federal do Abc; Brasil. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
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Fil: Fileti, Eudes E.. Universidade de Sao Paulo; Brasil
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Fil: Pascon, Aline. Universidade Estadual de Campinas; Brasil
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Fil: Franco, Débora V.. University of Jequitinhonha e Mucuri's Valley; Brasil
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Fil: Da Silva, Leonardo Morais. University of Jequitinhonha e Mucuri's Valley; Brasil
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Fil: Zanin, Hudson G.. Universidade Estadual de Campinas; Brasil
dc.journal.title
Materials Advances
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/d1ma00890k
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