Nonspherical Nanoparticles in Block Copolymer Composites: Nanosquares, Nanorods, and Diamonds

Diaz, Javier, Pinna, Marco, Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2019) Nonspherical Nanoparticles in Block Copolymer Composites: Nanosquares, Nanorods, and Diamonds. Macromolecules, 52 (21). pp. 8285-8294. ISSN 0024-9297

Full content URL: https://doi.org/10.1021/acs.macromol.9b01754

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Nonspherical Nanoparticles in Block Copolymer Composites: Nanosquares, Nanorods, and Diamonds
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Abstract

A hybrid two-dimensional block copolymer (BCP) nanocomposite computational model is proposed to study nanoparticles (NPs) with a generalized shape including square, rectangle, and rhombus. Simulations are used to study the role of anisotropy in the assembly of colloids within BCPs, ranging from NPs that are compatible with one phase to neutral NPs. The ordering of squarelike NPs into grid configurations within a minority BCP domain was investigated, as well as the alignment of nanorods in a lamellarforming BCP, comparing the simulation results with experiments of mixtures of nanoplates and polystyrene-b-poly- (methyl methacrylate) BCP. The assembly of rectangular NPs at the interface between domains resulted in alignment along the interface. The aspect ratio is found to play a key role in the aggregation of colloids at the interface, which leads to a distinct co-assembly behavior for low- and high-aspect-ratio NPs.

Keywords:Nanoparticles, Block copolymers, Nanorods, Diamonds, Nanosquares, Polymers, hybrid, Simulations
Subjects:F Physical Sciences > F200 Materials Science
G Mathematical and Computer Sciences > G120 Applied Mathematics
G Mathematical and Computer Sciences > G150 Mathematical Modelling
F Physical Sciences > F162 Polymer Chemistry
F Physical Sciences > F343 Computational Physics
F Physical Sciences > F300 Physics
Divisions:College of Science > School of Mathematics and Physics
ID Code:38663
Deposited On:01 Nov 2019 15:32

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