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Programming Interfacial Porosity and Symmetry with Escherized Colloids

Published

Author(s)

Nathan Mahynski, Vincent K. Shen

Abstract

We simultaneously design the porosity and plane symmetry of self-assembling colloidal films by using isohedral tiles to determine the location and shape of enthalpically interacting surface patches on motifs being functionalized. The symmetries of both the tile and motif determine the symmetry group of the final assembly. Previous work has either ignored symmetry altogether or accounted for only the tile's properties, applicable only when the motif is asymmetric; this approach provides a complete accounting and enables the design of symmetric colloids using this tile-based approach, which are often more practical to manufacture. We present the methodology, based on the henomeric type of the tile, and provide computational tools which enable automatic classification of all tiles for a given motif, and the optimization of the tile to fit the motif, sometimes referred to as "Escherization".
Citation
Journal of Chemical Theory and Computation
Volume
20
Issue
5

Keywords

self-assembly, colloids, interfaces

Citation

Mahynski, N. and Shen, V. (2024), Programming Interfacial Porosity and Symmetry with Escherized Colloids, Journal of Chemical Theory and Computation, [online], https://doi.org/10.1021/acs.jctc.3c01284, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=956660 (Accessed July 12, 2024)

Issues

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Created February 22, 2024, Updated July 1, 2024