Self-redirection of tearing edges in graphene: Tight-binding molecular dynamics simulations
Self-redirection of tearing edges in graphene: Tight-binding molecular dynamics simulations
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DOI：
10.1103/physrevb.80.033401
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发表时间：
2009-07-01
影响因子：
3.7
通讯作者：
Hiura, Hidefumi
中科院分区：
文献类型：
--
作者：
Kawai, Takazumi;Okada, Susumu;Hiura, Hidefumi
石墨烯的宽度越窄，原子边缘结构对其电子性能的影响越高。在此，我们对石墨烯机械撕裂形成石墨烯纳米带（GNR）进行了计算机模拟，并识别了原子边缘结构。模拟清楚地表明，施加在石墨烯上的剪切力导致扶手椅边缘结构，与撕裂方向无关。即使沿之字形方向开始撕裂，初始之字形边缘结构立即被扶手椅边缘紧跟着。因此，具有原子平扶手椅边缘的gnr可以通过多种条件形成，这对于具有相同规格的低维纳米器件的生产至关重要。
The narrower the width of the graphene, the higher the impact of the atomic edge structure on its electronic properties. Here, we have performed computer simulations for the mechanical tearing of graphene to form a graphene nanoribbon (GNR) and identified the atomic edge structures. The simulations clearly show that shear force applied to graphene results in armchair edge structures, independent of the tearing direction. Even if the tearing is initiated along the zigzag direction, the initial zigzag edge structures are immediately followed by the armchair edges. Thus, the GNRs with the atomically flat armchair edges can be formed through a wide range of conditions, which is essential for the production of low-dimensional nanodevices with the same specifications.