Quantitative Prediction of Position and Orientation for Platonic Nanoparticles at Liquid/Liquid Interfaces
Date of Issue2018
School of Materials Science and Engineering
Center for Programmable Materials
Because of their intrinsic geometric structure of vertices, edges, and facets, Platonic nanoparticles are promising materials in plasmonics and biosensing. Their position and orientation often play a crucial role in determining the resultant assembly structures at a liquid/liquid interface. Here, we numerically explored all possible orientations of three Platonic nanoparticles (tetrahedron, cube, and octahedron) and found that a specific orientation (vertex-up, edge-up, or facet-up) is more preferred than random orientations. We also demonstrated their positions and orientations can be quantitatively predicted when the surface tensions dominate their total interaction energies. The line tensions may affect their positions and orientations only when total interaction energies are close to each other for more than one orientation. The molecular dynamics simulation results were in excellent agreement with our theoretical predictions. Our theory will advance our ability toward predicting the final structures of Platonic nanoparticle assemblies at a liquid/liquid interface.
Free Energy Change
Free Energy Change
Journal of Physical Chemistry Letters
© 2018 American Chemical Society (ACS). This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of Physical Chemistry Letters, American Chemical Society (ACS). It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1021/acs.jpclett.7b03187].