将锗注入石墨烯
Implanting germanium into graphene
摘要：
将杂原子引入石墨烯晶格中可用于调整其电子、机械和化学性质。因此，直接取代仅限于使用低能离子注入引入的附带Si杂质和P、N和B掺杂剂。我们在这里提出了迄今为止最重的杂质，即$^{74}$ Ge $^+$离子注入单层石墨烯。虽然样品污染仍然是一个问题，原子分辨率扫描透射电子显微镜成像和定量图像模拟表明，锗可以直接取代单原子，键合到三个碳邻居在一个屈曲的面外配置，或占据一个面内的位置在一个双空位。第一性原理分子动力学提供了对注入过程的进一步原子洞察，揭示了使注入低于石墨烯位移阈值能量的强化学效应。我们的研究结果表明，重原子可以被注入到石墨烯晶格中，为石墨烯作为模板的单原子催化等高级应用指明了方向。
英文摘要：
Incorporating heteroatoms into the graphene lattice may be used to tailor its electronic, mechanical and chemical properties. Direct substitutions have thus far been limited to incidental Si impurities and P, N and B dopants introduced using low-energy ion implantation. We present here the heaviest impurity to date, namely $^{74}$Ge$^+$ ions implanted into monolayer graphene. Although sample contamination remains an issue, atomic resolution scanning transmission electron microscopy imaging and quantitative image simulations show that Ge can either directly substitute single atoms, bonding to three carbon neighbors in a buckled out-of-plane configuration, or occupy an in-plane position in a divacancy. First principles molecular dynamics provides further atomistic insight into the implantation process, revealing a strong chemical effect that enables implantation below the graphene displacement threshold energy. Our results show that heavy atoms can be implanted into the graphene lattice, pointing a way towards advanced applications such as single-atom catalysis with graphene as the template.
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