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Baletto, Francesca Chiara Maria
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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
Multiscale approach for studying melting transitions in CuPt nanoparticles
Abstract
<p>A multiscale approach, based on the combination of CALPHAD and molecular dynamics (MD) simulation, is applied in order to understand the melting transition taking place in CuPt nanoalloys. We found that in systems containing up to 1000 atoms, the morphology adopted by the nanoparticles causes the icosahedral CuPt to melt at temperatures 100 K below that of the other morphologies, if the chemical composition contains less than 30% of Pt. We show that the solid-to-liquid transition in CuPt nanoparticles of a radius equal to or greater than 3 nm could be studied using classical tools.</p>