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Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices

Eslami, Hossein ; Müller‐Plathe, Florian (2024)
Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices.
In: Small : nano micro, 2024, 20 (14)
doi: 10.26083/tuprints-00027117
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Item Type: Article
Type of entry: Secondary publication
Title: Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices
Language: English
Date: 12 June 2024
Place of Publication: Darmstadt
Year of primary publication: 4 April 2024
Place of primary publication: Weinheim
Publisher: Wiley-VCH
Journal or Publication Title: Small : nano micro
Volume of the journal: 20
Issue Number: 14
Collation: 12 Seiten
DOI: 10.26083/tuprints-00027117
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

The self‐assembly of triblock Janus particles is simulated from a fluid to 3D open lattices: pyrochlore, perovskite, and diamond. The coarse‐grained model explicitly takes into account the chemical details of the Janus particles (attractive patches at the poles and repulsion around the equator) and it contains explicit solvent particles. Hydrodynamic interactions are accounted for by dissipative particle dynamics. The relative stability of the crystals depends on the patch width. Narrow, intermediate, and wide patches stabilize the pyrochlore‐, the perovskite‐, and the diamond‐lattice, respectively. The nucleation of all three lattices follows a two‐step mechanism: the particles first agglomerate into a compact and disordered liquid cluster, which does not crystallize until it has grown to a threshold size. Second, the particles reorient inside this cluster to form crystalline nuclei. The free‐energy barriers for the nucleation of pyrochlore and perovskite are ≈10 kBT, which are close to the nucleation barriers of previously studied 2D kagome lattices. The barrier height for the nucleation of diamond, however, is much larger (>20 kBT), as the symmetry of the triblock Janus particles is not perfect for a diamond structure. The large barrier is associated with the reorientation of particles, i.e., the second step of the nucleation mechanism.

Uncontrolled Keywords: colloid crystallization, Janus particles, nucleation, open lattices, self‐assembly
Identification Number: Artikel-ID: 2306337
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-271171
Classification DDC: 500 Science and mathematics > 540 Chemistry
Divisions: 07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry
Date Deposited: 12 Jun 2024 11:44
Last Modified: 13 Jun 2024 07:42
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/27117
PPN: 519057511
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