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dc.contributor.author
Jiménez García, Juan Carlos
dc.contributor.author
Olmos Asar, Jimena Anahí
dc.contributor.author
Franceschini, Esteban Andrés
dc.contributor.author
Mariscal, Marcelo
dc.date.available
2023-01-09T13:40:28Z
dc.date.issued
2021-12
dc.identifier.citation
Jiménez García, Juan Carlos; Olmos Asar, Jimena Anahí; Franceschini, Esteban Andrés; Mariscal, Marcelo; Effect of Nafion content and hydration level on the electrochemical area of a Pt nanocatalyst in the triple-phase boundary; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 23; 48; 12-2021; 27543-27551
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/183896
dc.description.abstract
Despite the great scientific effort, there are still some aspects of a polymeric membrane-based fuel cell (PEMFC) operation that are difficult to access experimentally. This is the case of the so-called triple-phase boundary (TPB), where the ionomer (commonly Nafion) interacts with the supported nanocatalyst (commonly Pt) and is key to the catalytic activity of the system. In this work, we use molecular dynamics simulations and electrochemical experiments on a Nafion/Pt/C system. We perform a systematic analysis, at an atomistic level, to evaluate the effect of several fundamental factors and their intercorrelation on the electrochemically active area (ECSA) of the catalysts. Our results reveal that at high Nafion contents, the catalyst utilization is affected due to the strong interaction between the sulfonic groups of the ionomer and the surface of the Pt nanoparticles (NPs). On the other hand, when the hydration level of the membrane decreases, the sulfonic groups have a greater occupation on the NP surface, covering the active area with hydrophobic Nafion chains and therefore increasing the inactive area. Voltammograms can corroborate our calculations. Overall, this investigation allows us to rationalize how the catalyst utilization is affected, which is an important step in establishing the relationship between the environment and the effectiveness and durability of the PEMFC system.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NAFION CONTENT
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HYDRATION LEVEL
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ELECTROCHEMICAL AREA
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CATALYSIS
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Effect of Nafion content and hydration level on the electrochemical area of a Pt nanocatalyst in the triple-phase boundary
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-09-21T23:27:29Z
dc.journal.volume
23
dc.journal.number
48
dc.journal.pagination
27543-27551
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Jiménez García, Juan Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Olmos Asar, Jimena Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Franceschini, Esteban Andrés. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.journal.title
Physical Chemistry Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://xlink.rsc.org/?DOI=D1CP03731E
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/D1CP03731E
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