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Controlling the anisotropic self-assembly of polybutadiene-grafted silica nanoparticles by tuning three-body interaction forces
dc.contributor.author | Di Credico, Barbara | |
dc.contributor.author | Moncho Jordá, Arturo | |
dc.date.accessioned | 2022-11-02T13:22:32Z | |
dc.date.available | 2022-11-02T13:22:32Z | |
dc.date.issued | 2022-10-04 | |
dc.identifier.citation | Soft Matter, 2022, 18, 8034. DOI: [10.1039/d2sm00943a] | es_ES |
dc.identifier.uri | https://hdl.handle.net/10481/77706 | |
dc.description.abstract | Recently, the significant improvements in polymer composites properties have been mainly attributed to the ability of filler nanoparticles (NPs) to self-assemble into highly anisotropic self-assembled structures. In this work, we investigate the self-assembly of core–shell NPs composed of a silica core grafted with polybutadiene (PB) chains, generating the so-called ‘‘hairy’’ NPs (HNPs), immersed in tetrahydrofuran solvent. While uncoated silica beads aggregate forming uniform compact structures, the presence of a PB shell affects the silica NPs organization to the point that by increasing the polymer density at the corona, they tend to self-assemble into linear chain-like structures. To reproduce the experimental observations, we propose a theoretical model for the two-body that considers the van der Waals attractive energy together with the polymer-induced repulsive steric contribution and includes an additional three-body interaction term. This term arises due to the anisotropic distribution of PB, which increases their concentration near the NPs contact region. The resulting steric repulsion experienced by a third NP approaching the dimer prevents its binding close to the dimer bond and favors the growth of chain-like structures. We find good agreement between the simulated and experimental self-assembled superstructures, confirming that this three-body steric repulsion plays a key role in determining the cluster morphology of these core–shell NPs. The model also shows that further increasing the grafting density leads to low-density gel-like open structures. | es_ES |
dc.description.sponsorship | Pirelli | es_ES |
dc.description.sponsorship | Milano Bicocca University | es_ES |
dc.description.sponsorship | Junta de Andalucia European Regional Development Fund -Consejeria de Conocimiento, Investigacion y Universidad, Junta de Andalucia PY20-00241 A-FQM90-UGR20 | es_ES |
dc.description.sponsorship | Consejo Nacional de Ciencia y Tecnologia (CONACyT) A1-S-9197 | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Royal Society of Chemistry | es_ES |
dc.rights | Atribución-NoComercial 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc/4.0/ | * |
dc.title | Controlling the anisotropic self-assembly of polybutadiene-grafted silica nanoparticles by tuning three-body interaction forces | es_ES |
dc.type | journal article | es_ES |
dc.rights.accessRights | open access | es_ES |
dc.identifier.doi | 10.1039/d2sm00943a | |
dc.type.hasVersion | VoR | es_ES |