Fig. 6.

Theoretical calculations for Pd/C. a Pd₃₈ and b Pd₂₉₃ clusters bound to a functionalized graphene support; pink dot shows binding location of probe adsorbates. c Side-view of Pd₂₉₃ cluster above graphene. d Side-view of Pd₂₉₃ cluster bound to functionalized graphene support. e Absolute differences in binding energies of H* (blue), O* (red), C* (orange), CH* (green), and OH* (purple) on sites shown in pink in parts a, b on Pd particles ranging from 38 to 293 atoms and having 2 (circle), 3(square), 4(diamond) and 5(triangle) metal layers