ABSTRACT
Surface templating via self-assembly of hydrogen-bonded molecular networks is a rapidly developing bottom-up approach in nanotechnology. Using the melamine-PTCDI molecular system as an example we show theoretically that the network stability in the parameter space of temperature versus molecular coupling anisotropy is highly restricted. Our kinetic Monte Carlo simulations predict a structural stability diagram that contains domains of stability of an open honeycomb network, a compact phase, and a high-temperature disordered phase. The results are in agreement with recent experiments, and reveal a relationship between the molecular size and the network stability, which may be used to predict an upper limit on pore-cavity sizes.
Subject(s)
Imides/chemistry , Models, Chemical , Nanostructures/chemistry , Perylene/analogs & derivatives , Triazines/chemistry , Anisotropy , Computer Simulation , Hydrogen Bonding , Monte Carlo Method , Perylene/chemistryABSTRACT
We demonstrate the formation of intermixed phases and self assembled molecular templates on the Au(111) surface. The templates are stabilized by hydrogen bonding between melamine molecules with trigonal symmetry and linear PTCDI (perylene tetra-carboxylic di-imide) molecules. When annealed, these molecules spontaneously form either a chiral intermixed phase or a honeycomb arrangement in which vertexes and edges correspond respectively to melamine and PTCDI molecules. We also observe minority phases with more complex intermolecular junctions. The use of these networks as templates is demonstrated by the controlled capture of fullerenes within the pores of the network to form dimers, hexamers, and heptamers. Our results confirm that bimolecular templates can be realized on a range of substrates.
