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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 22: Poster Session III - Charged Soft Matter and Theory and Simulation

CPP 22.30: Poster

Wednesday, March 24, 2021, 16:30–18:30, CPPp

Low-symmetry phases in attraction-driven assembly of nanotriangles — •Marco Klement and Michael Engel — Institute for Multiscale Simulation, IZNF, FAU Erlangen, Erlangen, Germany

Hard triangles at high packing density spontaneously order into high-symmetry phases [1,2] with wallpaper groups p6 and p6mm. Recent experiments with coated nanotriangles [3] observed additional phases with wall paper groups pmg and p2. The appearance of these low-symmetry phases depends on the contour length and grafting density of surfactant polymer ligand molecules. We develop a novel simulation algorithm for anisotropic interacting nanoparticles, which attribute a majority of the observations to effective rounding of triangle vertices. The remaining observation, a p2 symmetric phase for the shortest molecules in use is a consequence of a soft attractive interaction of surfactant molecules.

[1] Gantapara, A. P., Qi, W., and Dijkstra, M. "A novel chiral phase of achiral hard triangles and an entropy-driven demixing of enantiomers". Soft Matter 11, 8684-8691 (2015).

[2] Walker, D. A., Browne, K. P., Kowalczyk, B., and Grzybowski, B. A. "Self-Assembly of Nanotriangle Superlattices Facilitated by Repulsive Electrostatic Interactions." Angewandte Chemie International Edition 49, 6760*6763 (2010).

[3] Liu, Yang and Klement, Marco and Zhong, Yaxu and Chen, Jun and Engel, Michael and Ye, Xingchen, "Using Ligand Engineering to Control Self-Assembly of Polysterol Coated Nano Triangles", in preparation (2021)