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Surface-Induced Hybridization between Graphene and Titanium

机译:石墨烯与钛之间的表面诱导杂交

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Carbon-based materials such as graphene sheets and carbon nanotubes have inspired a broad range of applications ranging from high-speed flexible electronics all the way to ultrastrong membranes. However, many of these applications are limited by the complex interactions between carbon-based materials and metals. In this work, we experimentally investigate the structural interactions between graphene and transition metals such as palladium (Pd) and titanium (Ti), which have been confirmed by density functional simulations. We find that the adsorption of titanium on graphene is more energetically favorable than in the case of most metals, and density functional theory shows that a surface induced p-d hybridization occurs between atomic carbon and titanium orbitals. This strong affinity between the two materials results in a short-range ordered crystalline deposition on top of graphene as well as chemical modifications to graphene as seen by Raman and X-ray photoemission spectroscopy (XPS). This induced hybridization is interface-specific and has major consequences for contacting graphene-nanoelectronic devices as well as applications toward metal-induced chemical functionalization of graphene.
机译:石墨烯片和碳纳米管等碳基材料激发了广泛的应用,从高速柔性电子一直到超强膜。但是,许多此类应用受到碳基材料与金属之间复杂相互作用的限制。在这项工作中,我们通过实验研究了石墨烯与过渡金属(例如钯(Pd)和钛(Ti))之间的结构相互作用,这些相互作用已通过密度泛函模拟得到了证实。我们发现,与大多数金属相比,钛在石墨烯上的吸附在能量上更有利,并且密度泛函理论表明,表面诱导的p-d杂化发生在原子碳和钛轨道之间。两种材料之间的这种强亲和力导致在石墨烯顶部的短程有序晶体沉积,以及通过拉曼光谱和X射线光电子能谱(XPS)观察到的石墨烯化学修饰。这种诱导的杂交是特定于界面的,对于接触石墨烯-纳米电子器件以及在金属诱导的石墨烯化学官能化中的应用具有重大影响。

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