Adsorption energy in eV (top panel) for atomic species over metallic substrates, vertical distance along z between the adatom and the xy-plane of the substrate slab in Å (middle panel) for 25%, 50% and 100% coverages [96]. Empty squares (or with 0 value) indicates when the atomic adsorption is not stable. In these cases, the adsorbate percolates into the surface structure. In all cases, darker shades are related to higher adsorption energy and distance.
Panel A: Maximum absolute value of the Adsorption Energy (Eads) for each substrate considered with respect to the coverage. The adatom for which the Maximum Adsorption Energy is obtained is specified in the label above the data-point.
Panel B: Minimum absolute value of Eads for each substrate considered with respect to the coverage. The adatom for which the Minimum Adsorption Energy is obtained is specified in the label above the data-point.
Panel C: Average difference in Adsorption Energy between different coverage for all the adatoms considered.
Panel D: Average change in distance from the substrate between different coverage for all the adatoms considered.
Panel E: Average change in Bond Order between adatoms considering different coverage.
Panel F: Average change in Bond Order between adatoms and the substrate considering different coverage.
