Prediction of binary nanoparticle superlattices from soft potentials

Horst, Nathan; Travesset, Alex

doi:10.1063/1.4939238

Title: Prediction of binary nanoparticle superlattices from soft potentials

Journal Article · Thu Jan 07 00:00:00 EST 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4939238· OSTI ID:1235588

Horst, Nathan ^[1]; Travesset, Alex ^[2]

Iowa State Univ., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. Thus, the resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (γ) and softness asymmetry.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-07CH11358; BES DE-AC02-07CH11358

OSTI ID:: 1235588

Alternate ID(s):: OSTI ID: 1234147

Report Number(s):: IS-J-8896; JCPSA6

Journal Information:: Journal of Chemical Physics, Vol. 144, Issue 1; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 34 works

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Nanoparticle Superlattices as Quasi-Frank-Kasper Phases Travesset, Alex Physical Review Letters, Vol. 119, Issue 11 https://doi.org/10.1103/physrevlett.119.115701	journal	September 2017
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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 Waltmann, Curt; Horst, Nathan; Travesset, Alex The Journal of Chemical Physics, Vol. 149, Issue 3 https://doi.org/10.1063/1.5039495	journal	July 2018
Crystal engineering with DNA Laramy, Christine R.; O’Brien, Matthew N.; Mirkin, Chad A. Nature Reviews Materials, Vol. 4, Issue 3 https://doi.org/10.1038/s41578-019-0087-2	journal	February 2019

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