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The Influence of Ni Addition in the Mechanism of CO(2) Electroreduction on Cu Crystals—Mechanistic Insight from DFT Simulations

We present a DFT analysis of the role of the Cu-Ni synergistic effect for the CO(2) reduction to C(2)H(4), in comparison to the pure Cu catalyst. The analysis is focused on the thermodynamic stability of reactive intermediates along the proposed pathway of C(2) species formation. We have observed th...

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Detalles Bibliográficos
Autores principales:	Dziadyk-Stopyra, Elżbieta, Tranca, Ionut, Smykowski, Daniel, Szyja, Bartłomiej M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10384679/ https://www.ncbi.nlm.nih.gov/pubmed/37512415 http://dx.doi.org/10.3390/ma16145138

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