2014_ChemSocRev_43_Granasy.pdf (4.22 MB)
0/0

Heterogeneous nucleation of/on nanoparticles: a density functional study using the phase-field crystal model

Download (4.22 MB)
journal contribution
posted on 06.11.2017 by Laszlo Granasy, Frigyes Podmaniczky, Gyula Toth, Gyorgy Tegze, Tamas Pusztai
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.

Funding

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'.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Chemical Society Reviews

Volume

43

Issue

7

Pages

2159 - 2159

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.

Publisher

© Royal Society of Chemistry

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2014

ISSN

0306-0012

eISSN

1460-4744

Language

en

Exports

Logo branding

Keyword(s)

Exports