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Transport properties of graphene nanoribbons with side-attached organic molecules

机译:带有侧接有机分子的石墨烯纳米带的传输特性

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In this work we address the effects on the conductance of graphene nanoribbons (GNRs) of organic molecules adsorbed at the ribbon edge. We studied the case of armchair and zigzag GNRs with quasi-one-dimensional side-attached molecules, such as linear poly-aromatic hydrocarbons and poly(para-phenylene). These nanostructures are described using a single-band tight-binding Hamiltonian and their electronic conductance and density of states are calculated within the Green's function formalism based on real-space renormalization techniques. We found that the conductance exhibits an even-odd parity effect as a function of the length of the attached molecules. Furthermore, the corresponding energy spectrum of the molecules can be obtained as a series of Fano antiresonances in the conductance of the system. The latter result suggests that GNRs can be used as a spectrograph sensor device.
机译:在这项工作中,我们解决了碳带边缘吸附的有机分子对石墨烯纳米带(GNR)电导的影响。我们研究了具有准一维侧连接分子(例如线性聚芳烃和聚对苯撑)的扶手椅和曲折GNR的情况。这些纳米结构使用单带紧密结合的哈密顿量进行描述,其电子电导率和态密度在格林函数的形式主义基础上基于实空间重归一化技术进行计算。我们发现电导表现出奇数奇偶效应,作为连接分子长度的函数。此外,可以在系统的电导中获得一系列的Fano反共振,从而获得分子的相应能谱。后一个结果表明,GNR可以用作光谱传感器。

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