“…Despite that here this reaction was not evaluated on Pd(1 1 1) with the 13BD adsorbed in di--cis site, nevertheless we could to appeal to the results previously published work for the partial hydrogenation of 13BD adsorbed on 1,2,3,4-tetra-site, where a reaction barrier of 1.01 eV was obtained [23]. As it was outlined in the last work, the shortening of lattice parameter from Pd (1 1 1) to Pd/Ni(1 1 1), from 3.97 to 3.64Å, produces the decrease of surface Pd Pd interatomic distances from 2.82 to 2.57Å [29,40]. The smaller interatomic distance on Pd/Ni (1 1 1) is compatible with a more stresses structure and a higher destabilization of 13BD, compared with Pd(1 1 1), and it is possible that for this reason the 13BD molecule is more activated on Pd/Ni(1 1 1) than on Pd(1 1 1) surface.…”