Conversely, adsorption of the PAHs often leads to reorganization of the adatom pattern, both in DFT geometry optimizations at 0 K, and in AIMD conditions at 250 K (as shown in several panels of Figures and). In fact, as seen in Table , helicenes consistently bind more strongly than [6]C on adatom-decorated substrates in both Au(111) and Cu(111)-based systems. This behaviour is in contrast to the stronger surface binding of [6]C on pristine substrates.