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Alloy, Janus and core–shell nanoparticles: numerical modeling of their nucleation and growth in physical synthesis

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Abstract

While alloy, core–shell and Janus binary nanoclusters are found in more and more technological applications, their formation mechanisms are still poorly understood, especially during synthesis methods involving physical approaches. In this work, we employ a very simple model of such complex systems using Lennard-Jones interactions and inert gas quenching. After demonstrating the ability of the model to well reproduce the formation of alloy, core–shell or Janus nanoparticles, we studied their temporal evolution from the gas via droplets to nanocrystalline particles. In particular, we showed that the growth mechanisms exhibit qualitative differences between these three chemical orderings. Then, we determined how the quenching rate can be used to finely tune structural characteristics of the final nanoparticles, including size, shape and crystallinity.

Graphical abstract: Alloy, Janus and core–shell nanoparticles: numerical modeling of their nucleation and growth in physical synthesis

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Publication details

The article was received on 30 Jul 2019, accepted on 01 Oct 2019 and first published on 01 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04231H
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Alloy, Janus and core–shell nanoparticles: numerical modeling of their nucleation and growth in physical synthesis

    G. D. Förster, M. Benoit and J. Lam, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP04231H

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