Artículo

Structure−Reactivity Relationship of Pt n (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study

Nuñez, José LuisIcon ; Belletti, Gustavo DanielIcon ; Tielens, Frederik; Quaino, Paola MonicaIcon
Fecha de publicación: 04/2022
Editorial: Springer/Plenum Publishers
Revista: Topics In Catalysis
ISSN: 1022-5528
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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.
Palabras clave: CNTS , PT NANOPARTICLES , WATER DISSOCIATION
 
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Tamaño: 1.273Mb
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Licencia
info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/213842
DOI: http://dx.doi.org/10.1007/s11244-022-01613-6
URL: https://link.springer.com/article/10.1007/s11244-022-01613-6
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Articulos(IQAL)
Articulos de INSTITUTO DE QUIMICA APLICADA DEL LITORAL
Citación
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
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