Self-assembly of monodisperse clusters: Dependence on target geometry.
We apply a simple model system of patchy particles to study monodisperse self-assembly using the Platonic solids as target structures. We find marked differences between the assembly behaviors of the different systems. Tetrahedra, octahedral, and icosahedra assemble easily, while cubes are more challenging and dodecahedra do not assemble. We relate these differences to the kinetics and thermodynamics of assembly, with the formation of large disordered aggregates a particular important competitor to correct assembly. In particular, the free energy landscapes of those targets that are easy to assemble are funnel-like, whereas for the dodecahedral system the landscape is relatively flat with little driving force to facilitate escape from disordered aggregates.
Wilber
Alex W
AW
Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
Doye
Jonathan P K
JP
Louis
Ard A
AA
D006358:Hot Temperature; D007700:Kinetics; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D053758:Nanoparticles / Q000737:chemistry; D044367:Phase Transition; D013816:Thermodynamics