▎ 摘 要
The atomic step edges on a transition-metal (TM) surface play an important role in surface catalysis due to their distinct reactivities from that of the terrace. The nonuniform growth of graphene on Ni(111) is just such a case. Using first-principles calculations, we show that the step edges of Ni(111) can be passivated in varying degrees by surface alloying with a series of carefully chosen TMs. The alloyed surface can be more uniform between the edges and the terrace, and able to facilitate large-area and high-quality growth of graphene.