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Ageing of out-of-equilibrium nanoalloys by a kinetic mean-field approach

Abstract : This study describes the ageing of bimetallic nanoparticles using a kinetic mean-field method which provides the time evolution of the concentration for each site. We consider the cuboctahedron of 309 atoms in the Cu–Ag system, which is a prototype of systems with a strong tendency to phase separate. Starting from an initial homogenous configuration, we investigate the evolution towards the equilibrium configuration at different temperatures. Surprisingly, at low temperature, the kinetics exhibits a first transition towards an onion-like configuration followed by a second transition towards the equilibrium core–shell configuration. An analysis of the kinetics of the formation and then of the dissolution of the onion-like structure allows us to identify the main paths of the kinetic process.
Keywords : nanoparticles
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https://hal-cea.archives-ouvertes.fr/cea-02385771
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Submitted on : Friday, November 29, 2019 - 9:12:56 AM
Last modification on : Wednesday, September 16, 2020 - 5:02:30 PM

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F. Berthier, A. Tadjine, B. Legrand. Ageing of out-of-equilibrium nanoalloys by a kinetic mean-field approach. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (42), pp.28193-28199. ⟨10.1039/C5CP00600G⟩. ⟨cea-02385771⟩

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