Influence of the molecular geometry on the formation of the self-assembled structures

Abstract

This paper presents simulations of the molecular dynamics and off-lattice Monte Carlo devoted to investigate self-assembly process of molecules with tetrapod architecture. Formation of diverse supramolecular networks were found, which were characterized by several structure and order parameters, such as two-dimensional structure factors and nematic order parameters. Moreover, it follows from the aforementioned functions that one of the most important factors driving the self-assembly phenomena is the molecular architecture and the presence of directional interactions.