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Issue 16, 2018
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Self-assembly of hairy disks in two dimensions – insights from molecular simulations

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Abstract

We report the results of large scale molecular dynamics simulations conducted for sparsely grafted disks in two-dimensional systems. The main goal of this work is to show how the ligand mobility influences the self-assembly of particles decorated with short chains. We also analyze the impact of the chain length on the structure of dense phases. A crossover between the systems controlled by the core–core or by the segment–segment interactions is discussed. We prove that the ligand mobility determines the structure of the system. The particles with fixed tethers are found to order into different structures, an amorphous phase, hexagonal or honeycomb lattices, and a “spaghetti”-like phase containing single strings of cores, depending on the length of attached chains. The disks with mobile monomers assemble into a hexagonal structure, while the particles with longer mobile chains attached to them form a lamellar phase consisting of double strings of cores.

Graphical abstract: Self-assembly of hairy disks in two dimensions – insights from molecular simulations

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Publication details

The article was received on 29 Jan 2018, accepted on 18 Mar 2018 and first published on 20 Mar 2018


Article type: Paper
DOI: 10.1039/C8SM00213D
Citation: Soft Matter, 2018,14, 3115-3126
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    Self-assembly of hairy disks in two dimensions – insights from molecular simulations

    M. Borówko, W. Rżysko, S. Sokołowski and T. Staszewski, Soft Matter, 2018, 14, 3115
    DOI: 10.1039/C8SM00213D

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