文摘
Thermodynamically, mono-layer deposition is exothermic on Fe (111) and (100) but endothermic on the Fe (110) facet. The preferred adsorption site is the hollow site on all surface coverages except the 1 ML covered (110) surface, where the top site is most preferred. Deposition leads to surface relaxation and no reconstruction, most profound on the stepped (111) surface, with the highest Ni-Fe interactions. Work function of the bare (100), (110) and (111) surfaces were found to be 3.80 eV, 4.76 eV and 3.84 eV respectively. Nickel monolayer deposition increases the work function on the (100) and (111) surfaces implying reduced corrosion tendencies.