Structure and stability of 2D molecular networks comprising asymmetric cross-shaped molecular building blocks
DOI:
https://doi.org/10.12775/CL.2013.008Abstrakt
We use the Monte Carlo simulation method to study the self-assembly of model cross-shaped molecules adsorbed on a square lattice. The molecules were assumed to consist of discrete segments arranged in a rigid planar structure having a central part called core and four arms attached to it. The calculations were performed for the selected cross-shaped molecules equipped with arms of adjustable length. The main purpose of our study was to examine how the changes in molecular shape can affect the structure formation in the adsorbed overlayer. For these building blocks we studied the effect of temperature and surface density on the morphology and stability of the self-assembled networks. The obtained results indicated clearly that a suitable modification of the molecular geometry can be used to create 2D self-assembled nanoporous grids with programmable architecture.
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