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|Title: ||Heterogeneous nucleation of/on nanoparticles: a density functional study using the phase-field crystal model|
|Authors: ||Granasy, Laszlo|
Toth, Gyula I.
|Issue Date: ||2014|
|Publisher: ||© Royal Society of Chemistry|
|Citation: ||GRANASY, L. ... et al., 2014. Heterogeneous nucleation of/on nanoparticles: a density functional study using the phase-field crystal model. Chemical Society Reviews, 43 (7), pp.2159-2173.|
|Abstract: ||Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows
that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous
precursor forms, and the crystalline phase appears via heterogeneous nucleation in/on the precursor cluster.
Herein, we review recent results by a simple dynamical density functional theory, the phase-field crystal
model, for (precursor-mediated) homogeneous and heterogeneous nucleation of nanocrystals. It will be
shown that the mismatch between the lattice constants of the nucleating crystal and the substrate plays a
decisive role in determining the contact angle and nucleation barrier, which were found to be non-monotonic
functions of the lattice mismatch. Time dependent studies are essential as investigations based on equilibrium
properties often cannot identify the preferred nucleation pathways. Modeling of these phenomena is essential
for designing materials on the basis of controlled nucleation and/or nano-patterning.|
|Sponsor: ||This work has been supported by the EU FP7 Project 'EXOMET'
(contract no. NMP-LA-2012-280421, co-funded by ESA), and by
the ESA MAP/PECS project 'MAGNEPHAS III'.|
|Version: ||Accepted for publication|
|Publisher Link: ||https://doi.org/10.1039/c3cs60225g|
|Appears in Collections:||Published Articles (Maths)|
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