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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Baletto, Francesca Chiara Maria
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (5/5 displayed)
- 2018The effect of size and composition on structural transitions in monometallic nanoparticlescitations
- 2016“Get in Touch and Keep in Contact”: Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticlescitations
- 2015Multiscale approach for studying melting transitions in CuPt nanoparticlescitations
- 2005Melting of metallic nanoclusters: Alloying and support effectscitations
- 2004Amorphization mechanism of icosahedral metal nanoclusters
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article
“Get in Touch and Keep in Contact”: Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticles
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.