Topological structure prediction in binary nanoparticle superlattices

Travesset, A.

doi:10.1039/C6SM00713A

Title: Topological structure prediction in binary nanoparticle superlattices

Abstract

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.

Authors:

Travesset, A. ^[1]

Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy

Publication Date:: Thu Apr 27 00:00:00 EDT 2017

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1355757

Report Number(s):: IS-J 8309
Journal ID: ISSN 1744-683X; SMOABF

Grant/Contract Number:: AC02-07CH11358

Resource 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

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

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                    Travesset, A. Topological structure prediction in binary nanoparticle superlattices.  United States: N. p., 2017. 
Web.  doi:10.1039/C6SM00713A.

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                    Travesset, A. Topological structure prediction in binary nanoparticle superlattices.  United States.  https://doi.org/10.1039/C6SM00713A

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                    Travesset, A. Thu .  
"Topological structure prediction in binary nanoparticle superlattices".  United States.  https://doi.org/10.1039/C6SM00713A.  https://www.osti.gov/servlets/purl/1355757.

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@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         = {Thu Apr 27 00:00:00 EDT 2017},

  month        = {Thu Apr 27 00:00:00 EDT 2017}

}

Copy to clipboard

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Works referencing / citing this record:

Assembly by solvent evaporation: equilibrium structures and relaxation times
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Waltmannn, Tommy; Travesset, Alex
Nanoscale, Vol. 11, Issue 40
DOI: 10.1039/c9nr05908c

Superlattice assembly by interpolymer complexation
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Horst, Nathan; Nayak, Srikanth; Wang, Wenjie
Soft Matter, Vol. 15, Issue 47
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Modeling antigen-antibody nanoparticle bioconjugates and their polymorphs
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Desgranges, Caroline; Delhommelle, Jerome
The Journal of Chemical Physics, Vol. 148, Issue 12
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Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field
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Waltmann, Curt; Horst, Nathan; Travesset, Alex
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Relevance of packing to colloidal self-assembly
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Nanoparticle Superlattices as Quasi-Frank-Kasper Phases
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Travesset, Alex
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Title: Topological structure prediction in binary nanoparticle superlattices

Abstract

Citation Formats

Crystal Structures of Molecular Gold Nanocrystal Arrays journal, May 1999

Structural diversity in binary nanoparticle superlattices journal, January 2006

Superlattice formation in mixtures of hard-sphere colloids journal, July 2000

Hydroxylation of the surface of PbS nanocrystals passivated with oleic acid journal, May 2014

Coarse-grained model for gold nanocrystals with an organic capping layer journal, December 2007

Entropy-driven formation of a superlattice in a hard-sphere binary mixture journal, September 1993

Phase diagram of power law and Lennard-Jones systems: Crystal phases journal, October 2014

Monte Carlo Studies of the XY Model on Two-Dimensional Curved Surfaces journal, December 2011

Nanoparticle Superlattice Engineering with DNA journal, October 2011

Driving diffusionless transformations in colloidal crystals using DNA handshaking journal, January 2012

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases journal, March 2015

Topological Defects in Spherical Nematics journal, July 2008

Understanding interactions between capped nanocrystals: Three-body and chain packing effects journal, September 2009

Modeling the Crystallization of Spherical Nucleic Acid Nanoparticle Conjugates with Molecular Dynamics Simulations journal, April 2012

DNA-guided crystallization of colloidal nanoparticles journal, January 2008

Toward a Tetravalent Chemistry of Colloids journal, October 2002

Large attractive depletion interactions in soft repulsive–sphere binary mixtures journal, December 2007

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies journal, January 2004

Effect of Chain Tilt on the Interaction between Brush-Coated Colloids journal, May 2005

DNA-programmable nanoparticle crystallization journal, January 2008

Molecular Exchange in Ordered Diblock Copolymer Micelles journal, May 2011

Materials design by DNA programmed self-assembly journal, December 2011

Binary Nanoparticle Superlattices in the Semiconductor−Semiconductor System: CdTe and CdSe journal, December 2007

Prediction of binary nanoparticle superlattices from soft potentials journal, January 2016

Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements journal, December 1980

Binary nanoparticle superlattices of soft-particle systems journal, July 2015

Molecular Simulations of Interacting Nanocrystals journal, September 2008

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices journal, March 2006

Theory and simulation of DNA-coated colloids: a guide for rational design journal, January 2016

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Quantifying “Softness” of Organic Coatings on Gold Nanoparticles Using Correlated Small-Angle X-ray and Neutron Scattering journal, November 2015

Nematic textures in spherical shells journal, August 2006

Ligand Exchange Governs the Crystal Structures in Binary Nanocrystal Superlattices journal, November 2015

Polymorphism in Self-Assembled AB 6 Binary Nanocrystal Superlattices journal, March 2011

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Relevance of packing to colloidal self-assembly journal, January 2018

Nanoparticle Superlattices as Quasi-Frank-Kasper Phases journal, September 2017

Crystal Structures of Molecular Gold Nanocrystal Arrays
journal, May 1999

Structural diversity in binary nanoparticle superlattices
journal, January 2006

Superlattice formation in mixtures of hard-sphere colloids
journal, July 2000

Hydroxylation of the surface of PbS nanocrystals passivated with oleic acid
journal, May 2014

Coarse-grained model for gold nanocrystals with an organic capping layer
journal, December 2007

Entropy-driven formation of a superlattice in a hard-sphere binary mixture
journal, September 1993

Phase diagram of power law and Lennard-Jones systems: Crystal phases
journal, October 2014

Monte Carlo Studies of the XY Model on Two-Dimensional Curved Surfaces
journal, December 2011

Nanoparticle Superlattice Engineering with DNA
journal, October 2011

Driving diffusionless transformations in colloidal crystals using DNA handshaking
journal, January 2012

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases
journal, March 2015

Topological Defects in Spherical Nematics
journal, July 2008

Understanding interactions between capped nanocrystals: Three-body and chain packing effects
journal, September 2009

Modeling the Crystallization of Spherical Nucleic Acid Nanoparticle Conjugates with Molecular Dynamics Simulations
journal, April 2012

DNA-guided crystallization of colloidal nanoparticles
journal, January 2008

Toward a Tetravalent Chemistry of Colloids
journal, October 2002

Large attractive depletion interactions in soft repulsive–sphere binary mixtures
journal, December 2007

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies
journal, January 2004

Effect of Chain Tilt on the Interaction between Brush-Coated Colloids
journal, May 2005

DNA-programmable nanoparticle crystallization
journal, January 2008

Molecular Exchange in Ordered Diblock Copolymer Micelles
journal, May 2011

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Binary Nanoparticle Superlattices in the Semiconductor−Semiconductor System: CdTe and CdSe
journal, December 2007

Prediction of binary nanoparticle superlattices from soft potentials
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Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements
journal, December 1980

Binary nanoparticle superlattices of soft-particle systems
journal, July 2015

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journal, September 2008

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journal, March 2006

Theory and simulation of DNA-coated colloids: a guide for rational design
journal, January 2016

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications
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