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Title: Topological structure prediction in binary nanoparticle superlattices

Systems of spherical nanoparticles with capping ligands have been shown to self-assemble into beautiful superlattices of fascinating structure and complexity. Here, I show that the spherical geometry of the nanoparticle imposes constraints on the nature of the topological defects associated with the capping ligand and that such topological defects control the structure and stability of the superlattices that can be assembled. Furthermore, all of these considerations form the basis for the orbifold topological model (OTM) described in this paper. Finally, the model quantitatively predicts the structure of super-lattices where capping ligands are hydrocarbon chains in excellent agreement with experimental results, explains the appearance of low packing fraction lattices as equilibrium, why certain similar structures are more stable (bccAB 6vs. CaB 6, AuCu vs. CsCl, etc.) and many other experimental observations.
Authors:
 [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
Publication Date:
Report Number(s):
IS-J 8309
Journal ID: ISSN 1744-683X; SMOABF
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
Journal Volume: 13; Journal Issue: 1; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry
Research Org:
Ames Laboratory (AMES), Ames, IA (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
OSTI Identifier:
1355757

Travesset, A. Topological structure prediction in binary nanoparticle superlattices. United States: N. p., Web. doi:10.1039/C6SM00713A.
Travesset, A. Topological structure prediction in binary nanoparticle superlattices. United States. doi:10.1039/C6SM00713A.
Travesset, A. 2017. "Topological structure prediction in binary nanoparticle superlattices". United States. doi:10.1039/C6SM00713A. https://www.osti.gov/servlets/purl/1355757.
@article{osti_1355757,
title = {Topological structure prediction in binary nanoparticle superlattices},
author = {Travesset, A.},
abstractNote = {Systems of spherical nanoparticles with capping ligands have been shown to self-assemble into beautiful superlattices of fascinating structure and complexity. Here, I show that the spherical geometry of the nanoparticle imposes constraints on the nature of the topological defects associated with the capping ligand and that such topological defects control the structure and stability of the superlattices that can be assembled. Furthermore, all of these considerations form the basis for the orbifold topological model (OTM) described in this paper. Finally, the model quantitatively predicts the structure of super-lattices where capping ligands are hydrocarbon chains in excellent agreement with experimental results, explains the appearance of low packing fraction lattices as equilibrium, why certain similar structures are more stable (bccAB6vs. CaB6, AuCu vs. CsCl, etc.) and many other experimental observations.},
doi = {10.1039/C6SM00713A},
journal = {Soft Matter},
number = 1,
volume = 13,
place = {United States},
year = {2017},
month = {4}
}

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