Density functional theory calculation of platinum surface segregation energy in Pt3Ni (111) surface doped with a third transition metal

► We calculate the Pt surface segregation energy in the Pt3Ni/M (111) surface. ► V, Fe, Co, Mo, Tc, Ru, W, Re, Os, and Ir further promote Pt surface segregation. ► Pd, Ag, and Au suppress Pt surface segregation. ► Surface energy, strain, and heat of solution are important effects.