Anisotropic functionalized platelets: percolation, porosity and network properties

Karner, Carina; Bianchi, Emanuela

doi:10.1039/d3na00621b

Nanoscale Adv.

2024

DOI: 10.1039/d3na00621b

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Anisotropic functionalized platelets: percolation, porosity and network properties

Carina Karner,

Emanuela Bianchi

Abstract: Anisotropic functionalized platelets are able to model the assembly behaviour of molecular systems in two-dimensions thanks to the unique combination of steric and bonding constraints.

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Two-stage assembly of patchy ellipses: From bent-core particles to liquid crystal analogs

Singh,

Bupathy,

Thongam

et al. 2024

The Journal of Chemical Physics

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We investigate the two-dimensional behavior of colloidal patchy ellipsoids specifically designed to follow a two-step assembly process from the monomer state to mesoscopic liquid-crystal phases via the formation of the so-called bent-core units at the intermediate stage. Our model comprises a binary mixture of ellipses interacting via the Gay–Berne potential and decorated by surface patches, with the binary components being mirror-image variants of each other—referred to as left-handed and right-handed ellipses according to the position of their patches. The surface patches are designed so as in the first stage of the assembly the monomers form bent-cores units, i.e., V-shaped dimers with a specific bent angle. The Gay–Berne interactions, which act between the ellipses, drive the dimers to subsequently form the characteristic phase observed in bent-core liquid crystals. We numerically investigate—by means of both Molecular Dynamics and Monte Carlo simulations—the described two-step process: we first optimize a target bent-core unit and then fully characterize its state diagram in temperature and density, defining the regions where the different liquid crystalline phases dominate.

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Two-stage assembly of patchy ellipses: From bent-core particles to liquid crystal analogs

Singh,

Bupathy,

Thongam

et al. 2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

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Anisotropic functionalized platelets: percolation, porosity and network properties

Abstract: Anisotropic functionalized platelets are able to model the assembly behaviour of molecular systems in two-dimensions thanks to the unique combination of steric and bonding constraints.

Cited by 1 publication

References 61 publications

Two-stage assembly of patchy ellipses: From bent-core particles to liquid crystal analogs

Two-stage assembly of patchy ellipses: From bent-core particles to liquid crystal analogs

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