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Electronic transport between graphene layers covalently connected by carbon nanotubes

机译:碳纳米管共价连接的石墨烯层之间的电子传输

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摘要

We present a first-principles study of the electronic transport properties of metallic and semiconducting carbon nanotube (CNT) junctions connecting two graphene layers, for different CNT lengths and link structures. Transport is analyzed in terms of the scattering states originated from the π and π* states of the finite-length CNTs, which couple to the graphene states producing resonances in the transmission curves. We find that, for metallic CNTs, the conductance is nearly independent of the tube length, but changes strongly with the link structure, while the opposite occurs for semiconducting CNTs, where the conductance in the tunneling regime is mainly controlled by the tube length and independent of the link structure. The sizable band offset between graphene and the CNTs yields to considerable effects on the transport properties, which cannot be captured using simple empirical models and highlights the need for a first-principles description.
机译:我们目前对连接两个石墨烯层的金属和半导体碳纳米管(CNT)结的电子传输特性进行了第一性原理研究,以了解不同的CNT长度和连接结构。根据源自有限长度CNT的π和π*状态的散射状态分析传输,这些状态耦合到石墨烯状态,从而在传输曲线中产生共振。我们发现,对于金属碳纳米管,电导率几乎与管长度无关,但随连接结构而变化很大,而对于半导电碳纳米管而言,情况恰恰相反,在隧穿状态下,电导率主要由管长度控制,而与电导率无关。链接结构。石墨烯和CNT之间的可观的带隙偏移对传输性能产生很大影响,这无法使用简单的经验模型来捕获,这突出了对第一性原理的描述。

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