Passivating a transition-metal surface for more uniform growth of graphene: Effect of Au alloying on Ni(111)
Passivating a transition-metal surface for more uniform growth of graphene: Effect of Au alloying on Ni(111)
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DOI：
10.1103/physrevb.87.195421
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发表时间：
2013-05
影响因子：
3.7
通讯作者：
Yexin Feng;Xiaolong Yao;Zhenpeng Hu;Jingjun Xu;Lixin Zhang
中科院分区：
文献类型：
--
作者：
Yexin Feng;Xiaolong Yao;Zhenpeng Hu;Jingjun Xu;Lixin Zhang
过渡金属（TM）表面的原子台阶边缘由于其不同于台阶的反应活性，在表面催化中起着重要的作用。石墨烯在Ni（111）上的不均匀生长就是这样一个例子。利用第一性原理计算，我们表明Ni（111）的阶梯边缘可以通过一系列精心选择的TMs表面合金化而不同程度地钝化。合金表面边缘与平台之间更加均匀，有利于石墨烯的大面积、高质量生长。PACS编号：81.15。Aa, 82.45。约68.65。Pq, 68.35。Bd *通讯作者，邮箱：lxzhang@nankai.edu.cn
The atomic step edges on transition metal (TM) surface play an important role in surface catalysis due to their distinct reactivities from that of the terrace. The non-uniform growth of graphene on Ni(111) is just a such 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, able to facilitate large area and high quality growth of graphene. PACS number(s): 81.15.Aa, 82.45.Jn, 68.65.Pq, 68.35.bd *corresponding author, email: lxzhang@nankai.edu.cn