Self-assembly of T-structures in molecular fluids

A lattice density functional approach is used to describe the equilibrium assembly of three types of anisotropic patchy particles into a T-structure. The T-structure is comprised of one three-patch, three two-patch, and three one-patch particles. All patches are positioned orthogonal to each other. Temperature, particle concentration, and interaction energy ranges are determined that lead to T-structure formation. T-structure formation is investigated for two types of two-patch particles: Case 1 uses two identical patches and Case 2 employs two differing patches. Sets of parameters leading to T-structure assembly are determined for both cases. We find that in Case 1 the symmetric two-patch particle enforces T-structure formation, while the asymmetric two-patch particle in Case 2 leads to formation of chains, dimers, and incorrect and extended T-structures in addition to the T-structure. Synthetic strategies for both cases are discussed and reveal that Case 2 presents the more straightforward synthetic route.