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Doping of graphene induced by boron/silicon substrate

机译：硼/硅衬底诱导的石墨烯掺杂

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摘要

In this work, we show the doping of graphene most likely from heteroatoms induced by the substrate using Raman spectra, x-ray photoelectron spectroscopy, energy dispersive x-ray spectroscopy and ab initio molecular dynamics (MD) simulations. The doping of graphene on a highly boron-doped silicon substrate was achieved by an annealing at 400 K for about 3 h in an oven with air flow. With the same annealing, only the Raman features similar to that from the pristine graphene were observed in the freestanding graphene and the graphene on a typical Si/SiO2 wafer. Ab initio MD simulations were performed for defected graphene on boron-doped silicon substrate at several temperatures. All vacancy sites in the graphene are occupied either with B atoms or Si atoms resulting in the mixed boron-silicon doping of the graphene. The MD simulations validated the experimetal finding of graphene doped behavior observed by Raman spectrum. The electronic structure analysis indicated the p-type nature of doped graphene. The observed doping by the possible incorporation of heteroatoms into the graphene, simply only using 400 K annealing the boron-doped Si substrate, could provide a new approach to synthesize doped graphene in a more economic way.
机译：在这项工作中，我们展示了使用拉曼光谱，X射线光电子能谱，能量分散X射线光谱和AB Initio分子动力学（MD）模拟由基板引起的杂原子的石墨烯的掺杂。通过在具有空气流动的烘箱中以400k的退火，在高度硼掺杂的硅衬底上掺杂石墨烯掺杂。利用相同的退火，仅在独立的石墨烯和典型的Si / SiO 2晶片上观察到类似于来自原始石墨烯的拉曼特征。在若干温度下对硼掺杂硅衬底进行缺陷的石墨烯进行AB Initio MD模拟。石墨烯中的所有空位位点都是用B原子或Si原子占用，导致石墨烯的混合硼硅掺杂。 MD仿真验证了拉曼光谱观察到的石墨烯掺杂行为的经验。电子结构分析表明了掺杂石墨烯的p型性质。观察到的掺杂通过将杂原子掺入石墨烯中，仅仅使用400k退火的硼掺杂的Si衬底，可以提供一种以更经济的方式合成掺杂石墨烯的新方法。

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