Encapsulation of spherical nanoparticles by colloidal dimers
文献情報
Gianmarco Munaò, Dino Costa, Carlo Caccamo
We study by Monte Carlo simulation the coating process of colloidal dimers onto spherical nanoparticles. To this end we investigate a simplified mixture of hard spheres (the guest particles) and hard dimers formed by two tangent spheres of different sizes (the encapsulating agents) in an implicit-solvent representation; in our scheme, the range of effective interactions between the smaller particle in a dimer and a guest sphere depends on their relative size. By tuning the size and concentration of guests, under overall dilute conditions a rich phase behavior emerges: for small sizes and/or low concentrations, the preferred arrangement is compact aggregates (capsules) of variable sizes, where one or few guest particles are coated with dimers; for larger sizes and moderate guest concentrations, other scenarios are realized, including equilibrium separation between a guest-rich and a guest-poor phase. Our results serve as a framework for a more systematic investigation of self-assembled structures of functionalized dimers capable of encapsulating target particles, like for instance bioactive substances in a colloidal dispersion.
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