Heat-to-Connect: Surface Commensurability Directs Organometallic One-Dimensional Self-Assembly

摘要: Recent experiments demonstrated the assembly of unfunctionalized porphyrin molecules into organometallic wires on Cu(110) surface through formation stable C-Cu-C bonds involving Cu adatoms. The remarkable properly observed structures is that they adopt a dear direction, despite lack functional ligands to direct assembly. Here we use density theory calculations and scanning tunneling microscopy clarify mechanism for highly one-dimensional nanostructures. An energetic preference found In several lattice directions, but self-assembly critically relies commensurability appropriate adsorption sites atoms involved-in coupling. experimentally arise from geometric self-limitation process, which proceeds in energetically geometrically most preferred direction. A further extension structure orthogonal dimension form 2D assemblies prevented by mismatch between repeat lengths directions underlying (110) apparent rigidity involved. However, fusing two parallel chains allowed leads some favorable configurations. Finally, role van der Waals forces investigated covalent couplings chemisorbed interactions this system.