Programming Interfacial Porosity and Symmetry with Escherized Colloids

We simultaneously designed 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 plane symmet...

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Veröffentlicht in:Journal of chemical theory and computation 2024-03, Vol.20 (5), p.2209-2218
Hauptverfasser: Mahynski, Nathan A., Shen, Vincent K.
Format: Artikel
Sprache:eng
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Zusammenfassung:We simultaneously designed 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 plane symmetry group of the final assembly. Previous work has either ignored symmetry considerations altogether or accounted for only the tile’s properties, applicable only when the motif is asymmetric; this approach provides a complete account 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 type of the tile, and provide computational tools that enable the automatic classification of all tiles for a given motif and the optimization of the tile to fit the motif, sometimes referred to as “Escherization”.
ISSN:1549-9618
1549-9626
1549-9626
DOI:10.1021/acs.jctc.3c01284