论文标题
Ni（111）表面上的Ni掺杂外延石墨烯单层
Ni-doped epitaxial graphene monolayer on the Ni(111) surface
论文作者
论文摘要
掺杂镍石墨烯已从丙烯在Ni（111）表面合成，并使用扫描隧道显微镜（STM）和密度功能理论（DFT）进行了研究。已经确定，通过化学蒸气沉积（CVD）和温度填充生长（TPG），在Ni（111）表面的石墨烯合成过程中形成镍中心。显然，它们始终存在于Ni（111）上合成的石墨烯中。在STM图像中观察到这些中心是单个缺陷或缺陷链，并通过DFT计算为碳二种原子中的Ni原子鉴定。这些镍原子具有正电荷，可能对单原子催化感兴趣。与底物中的碳原子相比，与底物镍原子相比，与底物脱离后，掺入的Ni原子应保留在石墨烯中。
Nickel-doped graphene has been synthesized from propylene on a Ni(111) surface and studied using scanning tunneling microscopy (STM) and density functional theory (DFT). It is established that nickel centers are formed during graphene synthesis on the Ni(111) surface by both chemical vapor deposition (CVD) and temperature-programmed growth (TPG); apparently, they are always present in graphene synthesized on Ni(111). The centers are observed in STM images as single defects or defect chains and identified by DFT calculations as Ni atoms in carbon bivacancies. These nickel atoms are positively charged and may be of interest for single-atom catalysis. The incorporated Ni atoms should remain in graphene after the detachment from the substrate since they bound more strongly with carbon atoms in graphene than with substrate nickel atoms.
