Global minima (GM) calculations were performed with the PGOPT toolkit. Within this toolkit, the initial structures are generated with the bond length distribution algorithm (BLDA). The GM search was divided in two stages, viz., cluster/support and a subsequent cluster(adsorbate)/support generation. In each case, it was ensured that enough structures were generated to sample the potential energy surface (PES) thoroughly. To determine the most stable surface deposited cluster geometries, the initial pool of structures ranged from 150 for n = 4 size clusters to 800 for n = 10. This process yields, in addition to the GM, a set of low-lying isomers, which can be populated under electrocatalytic conditions. Nonetheless, owing to the tremendous computational workload, we focused only on the GM structure for each cluster-support composition to further study the adsorption of the molecules. Thus, in the second step, another GM search was done using the same procedure to determine the most stable H* (HOR), CO* (CO poisoning), OOH*, O* and OH* (ORR) adsorption structures on the bare cluster GM structures. In this case an initial pool of 50 structures was generated.