Surface reconstruction of AgPd nanoalloy particles during the electrocatalytic formate oxidation reaction

. The driving force and kinetic path are calculated for the surface reconstruction induced by the adsorption of H, O and C atoms, in the case of C atoms on graphene, the segregation energy of surface Pd atoms in the AgPd nanoalloy is -1.16 eV, and the activation energy for the migration of subsurface Pd atoms to the surface is 0.54 eV, which are lower than the segregation (0.03 eV) and activation (2.06 eV) energy on a clean alloy surface.