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dc.contributor.author
Missoni, Leandro Luis
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dc.contributor.author
Tagliazucchi, Mario Eugenio
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dc.date.available
2021-10-06T23:14:37Z
dc.date.issued
2020-05
dc.identifier.citation
Missoni, Leandro Luis; Tagliazucchi, Mario Eugenio; The Phase Behavior of Nanoparticle Superlattices in the Presence of a Solvent; American Chemical Society; ACS Nano; 14; 5; 5-2020; 5649-5658
dc.identifier.issn
1936-0851
dc.identifier.uri
http://hdl.handle.net/11336/143007
dc.description.abstract
Superlattices of nanoparticles coated by alkyl-chain ligands are usually prepared from a stable solution by evaporation, therefore the pathway of superlattice self-assembly critically depends on the amount of solvent present within it. This work addresses the role of the solvent on the structure and the relative stability of the different supercrystalline phases of single-component superlattices (simple cubic, body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed). The study is performed with a molecular theory for nanoparticle superlattices introduced in this work, which predicts the structure and thermodynamics of the supercrystals explicitly treating the presence and molecular details of the solvent and the ligands. The theory predicts a FCC–BCC transition with decreasing solvent content due to the competition between the translational entropy of the solvent and the entropy and internal energy of the ligands. This result provides an explanation for recent experimental observations by in situ X-ray scattering, which reported a FCC–BCC transition during solvent evaporation. The theory also predicts the effects of the length and surface coverage of the ligands and the radius of the core on the phase behavior in agreement with experimental evidence and previous molecular dynamics simulations. These results validate the use of the dimensionless softness parameter λ (ratio of ligand length to core radius) to predict the phase behavior of wet superlattices. Our results stress the importance of explicitly considering the presence of the solvent in order to reach a complete picture of the mechanisms that mediate the self-assembly of nanoparticle superlattices.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ENTROPY
dc.subject
FREE ENERGY
dc.subject
LIGAND
dc.subject
MOLECULAR THEORY
dc.subject
NON-ADDITIVE
dc.subject
SELF-ASSEMBLY
dc.subject
SUPERCRYSTAL
dc.subject.classification
Química Coloidal
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
The Phase Behavior of Nanoparticle Superlattices in the Presence of a Solvent
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-09-07T18:36:46Z
dc.journal.volume
14
dc.journal.number
5
dc.journal.pagination
5649-5658
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Missoni, Leandro Luis. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Tagliazucchi, Mario Eugenio. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
ACS Nano
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acsnano.0c00076
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acsnano.0c00076
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