Engineering porous two-dimensional lattices via self-assembly of non-convex hexagonal platelets

摘要: In this work, a molecular-dynamics simulation study of the formation ordered two-dimensional porous structures is presented. The are formed by self-assembly non-convex hexagonal platelets confined in plane. By designing interparticle interaction, variety observed. For purely repulsive particles, system forms striped crystalline structure with pmg symmetry group, which also corresponds to its close-packed structure. As attractive interactions between edges turned on, close neighbours start align (pair), but due shape platelets, only three out six can be paired although there no preference as particular these might be. This geometric constraint promotes an unusual phase long-range translational order short-range offset rotational displacement disorder types regular and irregular pores formed. pore shapes energetic degeneracy configurations. Finally, we show that when functionalized oligomeric chains tethered main vertices p6(632) chiral breaking observed despite particles being achiral. platelet model does not favour one enantiomer over other, grains different symmetries formed, eventually imbalance enantiomeric population takes place, single similar way Viedma ripening effect.