Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/188422
Title: Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.
Author: Vega Dominguez, Lorena
García Cardona, Julia
Viñes Solana, Francesc
Cabot Julià, Pere-Lluís
Neyman, Konstantin M.
Keywords: Electrocatàlisi
Teoria del funcional de densitat
Nanopartícules
Electrocatalysis
Density functionals
Nanoparticles
Issue Date: 11-Mar-2022
Publisher: Royal Society of Chemistry
Abstract: Here we show, combining CO stripping voltammograms on different PtCu nanoparticle (NP) low-temperature fuel cell electrocatalysts and density functional calculations, that surface chemical ordering and the presence of certain defects explain the CO tolerance vs. poisoning of such systems. The CO withdrawal for these duelling CO-slingers depends on whether they are well-shaped core@shell Cu@Pt NPs, more CO-tolerant, or having Cu-surrounded surface Pt atoms or adatoms/vacancies surface defects, less CO-tolerant. The latter sites are critical on nm-sized PtCu NPs, displaying stronger CO adsorption compared to pure Pt NPs. Avoiding such sites is key when designing less expensive and CO-poisoned Cu@Pt NP-based electrocatalysts.
Note: Reproducció del document publicat a: https://doi.org/10.1039/D2MA00196A
It is part of: Materials Advances, 2022, vol. 3, num. 10, p. 4159-4169
URI: http://hdl.handle.net/2445/188422
Related resource: https://doi.org/10.1039/D2MA00196A
ISSN: 2633-5409
Appears in Collections:Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))
Articles publicats en revistes (Ciència dels Materials i Química Física)

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