Nickel Alloy Catalysts for the Anode of a High Temperature PEM Direct Propane Fuel Cell

Figure 2

DFT calculated adsorption energies of propane on the surface of Ni/Fe alloy slabs with various compositions. The diamond shaped data points represent slabs having ordered structures. The triangular shaped datum point represents a slab containing 50% Ni and 50% Fe. The square shaped datum point represents a 22.2% Fe slab where the 8 Fe atoms have arbitrary locations and are further from the Ni adsorption site.