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dc.contributor.author
Nuñez, José Luis
dc.contributor.author
Belletti, Gustavo Daniel
dc.contributor.author
Tielens, Frederik
dc.contributor.author
Quaino, Paola Monica
dc.date.available
2023-10-03T01:13:29Z
dc.date.issued
2022-04
dc.identifier.citation
Nuñez, José Luis; Belletti, Gustavo Daniel; Tielens, Frederik; Quaino, Paola Monica; Structure−Reactivity Relationship of Pt n (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study; Springer/Plenum Publishers; Topics In Catalysis; 65; 7-8; 4-2022; 926-933
dc.identifier.issn
1022-5528
dc.identifier.uri
http://hdl.handle.net/11336/213842
dc.description.abstract
The reactivity and structure of several platinum nanoparticles adsorbed on a (5,5) CNT have been studied on the basis of DFT. Changes in the materials reactivity due to charge redistribution and chemical and geometrical factors were observed. Additionally, we have investigated the nanoparticles reactivity for water dissociation and found a competing behavior between the particle structure and charge accumulation, which influences the decrease in the activation energies of the process and provides a deeper understanding of the reaction path and the material behavior as well.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Springer/Plenum Publishers
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
CNTS
dc.subject
PT NANOPARTICLES
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WATER DISSOCIATION
dc.subject.classification
Química Inorgánica y Nuclear
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Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Structure−Reactivity Relationship of Pt n (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-06-29T10:31:13Z
dc.journal.volume
65
dc.journal.number
7-8
dc.journal.pagination
926-933
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Nuñez, José Luis. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina
dc.description.fil
Fil: Belletti, Gustavo Daniel. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina
dc.description.fil
Fil: Tielens, Frederik. Vrije Unviversiteit Brussel; Bélgica
dc.description.fil
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina
dc.journal.title
Topics In Catalysis
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s11244-022-01613-6
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s11244-022-01613-6
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