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Title: Quantitative Prediction of Position and Orientation for Platonic Nanoparticles at Liquid/Liquid Interfaces
Authors: Shi, Wenxiong
Zhang, Zhonghan
Li, Shuzhou
Keywords: Platonic Nanoparticle
Free Energy Change
Issue Date: 2018
Source: Shi, W., Zhang, Z., & Li, S. (2018). Quantitative Prediction of Position and Orientation for Platonic Nanoparticles at Liquid/Liquid Interfaces. Journal of Physical Chemistry Letters, 9(2), 373-382.
Series/Report no.: Journal of Physical Chemistry Letters
Abstract: 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.
DOI: 10.1021/acs.jpclett.7b03187
Rights: © 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: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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