Publication Date

10-27-2017

Department

Ames Laboratory; Physics and Astronomy; Materials Science and Engineering

Campus Units

Materials Science and Engineering, Physics and Astronomy, Ames Laboratory

Report Number

IS-J 9535

DOI

10.1021/acsnano.7b05694

Journal Title

ACS Nano

Volume Number

11

Issue Number

11

First Page

11273

Last Page

11282

Abstract

We present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We show that the bonding of two nanocrystals is characterized by ligand textures in the form of vortices. These results are generalized to nanocrystals of different types (differing core and ligand sizes) where the structure of the vortices depends on the softness asymmetry. We provide rigorous calculations for the binding free energy, show that these energies are independent of the chemical composition of the cores, and derive analytical formulas for the equilibrium separation. We discuss the implications of our results for the self-assembly of single-component and binary nanoparticle superlattices. Overall, our results show that the structure of the ligands completely determines the bonding of nanocrystals, fully supporting the predictions of the recently proposed Orbifold topological model.

Language

en

Department of Energy Subject Categories

77 NANOSCIENCE AND NANOTECHNOLOGY

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Saturday, October 27, 2018

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