Additionally, the charge transport properties were evaluated in both structures, leading to the conclusion that the hexagonal configuration presents higher electronic couplings than the concave-convex structure, which readily translates into larger charge-transfer rates and mobility for both holes and electrons. Overall, our simulations offer detailed information about structural and electronic properties of physisorbed cyclic nanorings, suggesting that these materials could be exploited for the realization of self-assembled semiconducting organic monolayers.