Abstract:The adsorption of polyaromatic hydrocarbons (PAHs) on metallic substrates is of interest in the field of optoelectronics, due to the possibility of designing complex materials with tunable properties through surface functionalization with organic molecules. Much of the modelling research in this field has focused on perfectly symmetrical (pristine) substrates. There is limited information on the effect of substrate irregularities, such as adatoms, on the binding of PAHs onto substrates. Here, we examine how th… Show more
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