"Get in Touch and Keep in Contact": Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticles
Articolo
Data di Pubblicazione:
2016
Citazione:
"Get in Touch and Keep in Contact": Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticles / G.G. Asara, L.O. Paz-Borbon, F. Baletto. - In: ACS CATALYSIS. - ISSN 2155-5435. - 6:7(2016), pp. 4388-4393. [10.1021/acscatal.6b00259]
Abstract:
Elucidating the interplay between shape, chemical composition, and catalytic activity is an essential task in the rational nanocatalyst design process. We investigated the activity of MgO-supported PtNi nanoalloys of ∼1.5 nm toward the oxygen reduction reaction using first-principles simulations. Cuboctahedral-shaped particles result to be more active than truncated octahedra of similar sizes, and alloying produces a quantitative improvement in the catalytic activity independent of the catalyst morphology. Our results suggest a practical recipe for catalyst nanoengineering controlling the chemical composition at the metal/oxide interface. Indeed, Ni atoms in contact with the oxide support reduce the binding energy of molecular oxygen at different adsorption sites.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
catalyst-by-design; core-shell; generalized coordination number; nanoalloy; nanoparticle; ORR; PEMFC; Pt
Elenco autori:
G.G. Asara, L.O. Paz-Borbon, F. Baletto
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