Self-assembly of nanoparticles (NPs) at liquid surfaces is strongly influenced by coupling between the NP and liquid. This effect can be particularly complex for anisotropic NPs, as has been shown for nanocubes (NCs) by analytical methods and molecular dynamics simulations. These simulations reveal that the strength of ligand-solvent interactions determines the immersion and orientation of cubic NPs at the liquid-air surface, with three immersion regimes observed: NCs can sit flat on the liquid surface (weak), be partly immersed in a tilted orientation (intermediate), or be fully immersed except for the top facet (strong), determining the self-assembly of NCs on liquid surfaces. Here, molecular dynamics simulations have been performed using the MARTINI coarse-grained force field to investigate similar behavior in cylindrical NPs.

Immersion and clustering of cylindrical nanoparticles at liquid-air interfaces

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.