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We use different semi-empirical dispersion correction schemes to assess therole of long-range van der Waals interactions in the adsorption of theprototypical molecular switch azobenzene (C6H5-N2-C6H5) at the coinage metalsurfaces Cu(111), Ag(111) and Au(111). Compared to preceding density-functionaltheory results employing a semi-local exchange and correlation functional weobtain partly sizable changes of the computed adsorption geometry andenergetics. The discomforting scatter in the results provided by the differentschemes is largely attributed to the unknown form of the damping function inthe semi-empirical correction expression. Using the congeneric problem of theadsorption of benzene as a vehicle to connection with experiment, we cautiouslyconclude that the account of dispersive interactions at the metal surfacesprovided by the various schemes is in the right ballpark, with the more recent,general schemes likely to overbind.

Azobenzene at Coinage Metal Surfaces: The Role of Dispersive van der Waals Interactions