However, the above discussed trends with respect the Eads are of properties of the adsorbed system. With the aim of unfolding the main descriptors involved in the interaction, this is, physicochemical properties of the pristine TM surfaces capable of predicting an adsorbate feature, an exploratory search including the d-band centre, εd, the width-corrected d-band centres, maximum Hillbert peaks of the density of states, surface energies, and workfunctions was carried out, all calculated using the same computational setup as the one here used . Their evaluation revealed that the d-band centre was the most suited choice, with an R of 0.908, see Fig. and Figures S6-S9 of Section S7 of the SM.