Theoretical investigation on the transport properties of graphene nanoflakes (GNFs) with protrusions has been performed with density-functional calculations by considering the influence of the structural symmetry. It is found that GNFs with different widths of protrusions exhibit distinctly different transport properties, depending on whether they are mirror symmetric with respect to the midplane (σ) between the two edges. For the symmetric models, electrons primarily pass through the edges of the GNFs with a small transmission probability. On the contrary, the electrons prefer to transit along one side of the GNFs with a high probability in the asymmetric models. Therefore, the conductivity of asymmetric models is greater than that of symmetric models.

中文翻译：

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具有不同宽度突起的石墨烯纳米薄片的电子和传输性能。

考虑到结构对称性的影响，已通过密度泛函计算对具有凸起的石墨烯纳米薄片（GNF）的传输性质进行了理论研究。发现具有不同宽度的突起的GNF表现出明显不同的传输特性，这取决于它们是否相对于两个边缘之间的中平面（σ）镜像对称。对于对称模型，电子主要以较小的传输概率通过GNF的边缘。相反，在非对称模型中，电子更倾向于沿GNF的一侧传输。因此，非对称模型的电导率大于对称模型的电导率。