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Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems. | LitMetric

Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems.

Soft Matter

CECAM, Centre Européen de Calcul Atomique et Moléculaire, École Polytechnique Fédérale de Lausanne, Batochime - Avenue Forel 2, 1015 Lausanne, Switzerland and Departament de Física de la Matéria Condensada, Universitat de Barcelona, Martíi Franqués 1, 08028 Barcelona, Spain. and Universitat de Barcelona Institute of Complex Systems (UBICS), Universitat de Barcelona, 08028 Barcelona, Spain.

Published: December 2019

AI Article Synopsis

Article Abstract

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a considerable filling fraction of colloids. Furthermore, colloids can be found to assemble into ordered hexagonally close-packed structures in a defined number of layers when softly confined within the phase-separated block copolymer. A high concentration of interface-compatible nanoparticles leads to complex long-lived block copolymer morphologies depending on the polymeric composition. Macrophase separation between the colloids and the block copolymer can be induced if colloids are unsolvable within the matrix. This leads to the formation of ellipsoid-shaped polymer-rich domains elongated along the direction perpendicular to the interface between block copolymer domains.

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Source
http://dx.doi.org/10.1039/c9sm01760gDOI Listing

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