Interaction between two graphene sheets with a turbostratic orientational relationship
Interaction between two graphene sheets with a turbostratic orientational relationship
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DOI：
10.1016/j.cplett.2011.07.013
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发表时间：
2011-08-25
影响因子：
2.8
通讯作者：
Elliott, James A.
中科院分区：
文献类型：
--
作者：
Shibuta, Yasushi;Elliott, James A.
用Lennard-Jones势研究了具有不同涡层取向关系的两个刚性无缺陷石墨烯薄片的相互作用。当一层从AB堆积顺序旋转时，势能的极大值和极小值出现在与AA和AB堆积对应的角度上。AA堆积和AB堆积之间的能隙估计比室温下的平均热能小得多。涡轮层流方向将平移位移的能量减小到零。缺陷的存在是解释纯碳纳米管纤维剪切强度不为零所必需的，而石墨烯的取向不相称。(C)2011爱思唯尔B.V.保留所有权利。
The interaction of two rigid defect-free graphene sheets with various turbostratic orientational relationships is examined using a Lennard-Jones potential. When one layer is rotated from the AB stacking order, maxima and minima in the potential energy occur at angles corresponding to AA and AB stacking. The energy gap between AA and AB stacking is estimated to be much smaller than the average thermal energy at room temperature. Turbostratic orientations diminish the energy for translational displacement to zero. The presence of defects is required to explain non-zero shear strengths in pure carbon nanotube fibres with no commensurate orientation of graphene sheets. (C) 2011 Elsevier B.V. All rights reserved.