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Walter R C Somerville1, Adam D Law2, Marcel Rey3

  • 1G. W. Gray Centre for Advanced Materials, Department of Physics & Mathematics, University of Hull, Hull HU6 7RX, UK. d.m.buzza@hull.ac.uk and The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Kelburn Parade, Wellington 6012, New Zealand.

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Researchers explored realistic soft shell potentials for hard-core/soft shell (HCSS) particles. Tuning particle properties allows for the self-assembly of diverse 2D structures, including quasicrystals, through colloidal self-assembly.

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Area of Science:

  • Materials Science
  • Soft Matter Physics
  • Computational Chemistry

Background:

  • Hard-core/soft shell (HCSS) particles self-assemble into complex structures under compression.
  • Existing models often use unrealistic square shoulder potentials for soft shell interactions, lacking repulsion.
  • Experimental HCSS systems exhibit repulsive forces within the soft shell regime.

Purpose of the Study:

  • To investigate HCSS particle self-assembly using more realistic soft shell potential profiles.
  • To explore the structural diversity achievable by tuning density and soft shell characteristics.
  • To assess the potential for fabricating exotic 2D structures via colloidal self-assembly.

Main Methods:

  • Utilized minimum energy calculations.
  • Employed Monte Carlo simulations.
  • Investigated various soft shell potential profiles beyond the square shoulder model.

Main Results:

  • Thin shell HCSS particles formed diverse structures (hexagons, chains, squares, rhomboids, zig-zags) by tuning density and soft shell profiles.
  • Experimentally realistic linear ramp repulsions enabled the formation of honeycombs and quasicrystals (10-fold, 12-fold symmetry).
  • Structural diversity is controllable via density and shell-to-core ratio (r1/r0).

Conclusions:

  • Realistic soft shell potentials significantly expand the range of self-assembled structures from HCSS particles.
  • Tuning particle properties offers a pathway to fabricating complex 2D materials.
  • The findings suggest exciting possibilities for experimental colloidal self-assembly of exotic structures.