Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.

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 wit...

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Detalhes bibliográficos
Autores: Vega Dominguez, Lorena, García Cardona, Julia, Viñes Solana, Francesc, Cabot Julià, Pere-Lluís, Neyman, Konstantin M.
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Recursos:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/188422
Acesso em linha:https://hdl.handle.net/2445/188422
Access Level:acceso abierto
Palavra-chave:Electrocatàlisi
Teoria del funcional de densitat
Nanopartícules
Electrocatalysis
Density functionals
Nanoparticles
Descrição
Resumo: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.