Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 7, 2014
Previous Article Next Article

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

Author affiliations

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.

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

Back to tab navigation

Supplementary files

Article information


Submitted
01 Jul 2013
First published
08 Jan 2014

Chem. Soc. Rev., 2014,43, 2159-2173
Article type
Tutorial Review

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

L. Gránásy, F. Podmaniczky, G. I. Tóth, G. Tegze and T. Pusztai, Chem. Soc. Rev., 2014, 43, 2159
DOI: 10.1039/C3CS60225G

Social activity

Search articles by author

Spotlight

Advertisements