Rosales L, Pacheco M, Barticevic Z, Latgé A, Orellana P A
Departamento de Física, Universidad Santa María, Casilla 110 V, Valparaíso, Chile.
Nanotechnology. 2008 Feb 13;19(6):065402. doi: 10.1088/0957-4484/19/6/065402. Epub 2008 Jan 23.
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.
在这项工作中,我们研究了吸附在石墨烯纳米带(GNR)边缘的有机分子对其电导率的影响。我们研究了扶手椅型和锯齿型GNR与准一维侧链连接分子的情况,例如线性多环芳烃和聚对苯撑。这些纳米结构使用单带紧束缚哈密顿量进行描述,并基于实空间重整化技术,在格林函数形式体系内计算它们的电子电导率和态密度。我们发现,电导率随连接分子长度呈现奇偶宇称效应。此外,分子的相应能谱可以通过系统电导率中的一系列法诺反共振得到。后一结果表明,GNR可作为一种光谱传感器装置。