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Title: Layer-by-layer assembly of patchy particles as a route to nontrivial structures

Here, we propose a strategy for robust high-quality self-assembly of nontrivial periodic structures out of patchy particles and investigate it with Brownian dynamics simulations. Its first element is the use of specific patch-patch and shell-shell interactions between the particles, which can be implemented through differential functionalization of patched and shell regions with specific DNA strands. The other key element of our approach is the use of a layer-by-layer protocol that allows one to avoid the formation of undesired random aggregates. As an example, we design and self-assemble in silico a version of a double diamond lattice in which four particle types are arranged into bcc crystal made of four fcc sublattices. The lattice can be further converted to cubic diamond by selective removal of the particles of certain types. These results demonstrate that by combining the directionality, selectivity of interactions, and the layer-by-layer protocol, a high-quality robust self-assembly can be achieved.
Authors:
 [1] ;  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
Publication Date:
Report Number(s):
BNL-114384-2017-JA
Journal ID: ISSN 2470-0045; PLEEE8; KC0403020; TRN: US1703208
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 96; Journal Issue: 2; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY
OSTI Identifier:
1399676
Alternate Identifier(s):
OSTI ID: 1373806

Patra, Niladri, and Tkachenko, Alexei V. Layer-by-layer assembly of patchy particles as a route to nontrivial structures. United States: N. p., Web. doi:10.1103/PhysRevE.96.022601.
Patra, Niladri, & Tkachenko, Alexei V. Layer-by-layer assembly of patchy particles as a route to nontrivial structures. United States. doi:10.1103/PhysRevE.96.022601.
Patra, Niladri, and Tkachenko, Alexei V. 2017. "Layer-by-layer assembly of patchy particles as a route to nontrivial structures". United States. doi:10.1103/PhysRevE.96.022601. https://www.osti.gov/servlets/purl/1399676.
@article{osti_1399676,
title = {Layer-by-layer assembly of patchy particles as a route to nontrivial structures},
author = {Patra, Niladri and Tkachenko, Alexei V.},
abstractNote = {Here, we propose a strategy for robust high-quality self-assembly of nontrivial periodic structures out of patchy particles and investigate it with Brownian dynamics simulations. Its first element is the use of specific patch-patch and shell-shell interactions between the particles, which can be implemented through differential functionalization of patched and shell regions with specific DNA strands. The other key element of our approach is the use of a layer-by-layer protocol that allows one to avoid the formation of undesired random aggregates. As an example, we design and self-assemble in silico a version of a double diamond lattice in which four particle types are arranged into bcc crystal made of four fcc sublattices. The lattice can be further converted to cubic diamond by selective removal of the particles of certain types. These results demonstrate that by combining the directionality, selectivity of interactions, and the layer-by-layer protocol, a high-quality robust self-assembly can be achieved.},
doi = {10.1103/PhysRevE.96.022601},
journal = {Physical Review E},
number = 2,
volume = 96,
place = {United States},
year = {2017},
month = {8}
}

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