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Formation of various structures caused by particle size difference in colloidal heteroepitaxy.

ABSTRACT: By performing isothermal-isochoric Monte Carlo simulations with depletion force, the author investigated the dependence of the epitxial layer structure on the differences in the particle size between the substrate in colloidal heteroepitaxy. By changing the size of epitaxial particles and performing simulations comprehensively, various structures including the structures observed in a experiment, such as a honeycomb, one created by hexagonal heptamers, and one consisting of both pentagonal tiles and triangular tiles, were created. When the ratio of particle sizes between the epitxial layer and substrate takes a specific value, two types of hexagonal structures were created. One is the hexagonal layer parallel to the substrate layer and the other layer is rotated by 60[Formula: see text] from the substrate layer. The former structure was created over a wide range of particle-size ratios, whereas the latter structure was created when the particle-size ratio was only around the specific ratio, and it seemed a metastable structure.

SUBMITTER: Sato M

PROVIDER: S-EPMC10853232 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature

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Formation of various structures caused by particle size difference in colloidal heteroepitaxy.

Sato Masahide M

Scientific reports 20240208 1

By performing isothermal-isochoric Monte Carlo simulations with depletion force, the author investigated the dependence of the epitxial layer structure on the differences in the particle size between the substrate in colloidal heteroepitaxy. By changing the size of epitaxial particles and performing simulations comprehensively, various structures including the structures observed in a experiment, such as a honeycomb, one created by hexagonal heptamers, and one consisting of both pentagonal tiles ...[more]

PMID: 38331999

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Project description:True thermodynamic stability of a solid colloidal dispersion is generally unexpected, so much that thorough experimental validation of proposed stable systems remains incomplete. Such dispersions are under investigated and would be of interest due to their long-term stability and insensitivity to preparation pathway. We apply classical nucleation theory (CNT) to such colloidal systems, providing a relationship which links the size-dependent interfacial free energy density of the particles to their size distribution, and use this expression in the fitting of previously reported size distributions for putatively thermodynamically stable nanoparticles. Experimental data from a gold-thiol system exhibiting inverse coarsening or "digestive ripening" can be well-described in terms of a power-law dependence of the interfacial free energy γ on radius based on capacitive charging of the nanoparticles, going as r-3 , as suggested by prior authors. Data from magnetite nanoparticles in highly basic solutions also can be well-fit using the CNT relation, but with γ going as r-2 . Slightly better fits are possible if the power of the radius is non-integral, but we stress that more complex models of γ will require richer data sets to avoid the problem of overfitting. Some parameters of the fits are still robustly at odds with earlier models that implicitly assumed absolute thermodynamic stability: first, the extrapolated free energy density of the flat surface in these systems is small and positive, rather than strongly negative; second, the shape of the distributions indicates the solution phase to be supersaturated in monomer relative to the bulk, and thus that these two systems may only be metastable. For future work, we derive expressions for the important statistical thermodynamic and chemical parameters of the interface energy in terms of 1) the surfactant concentration, 2) the temperature dependence, and 3) the concentrations of particles in the tail of the distribution.

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Formation of various structures caused by particle size difference in colloidal heteroepitaxy.

Publications

Formation of various structures caused by particle size difference in colloidal heteroepitaxy.

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