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Separation, folding and shearing of graphene layers during wedge-based mechanical exfoliation

机译：基于楔形的机械剥离过程中石墨烯层的分离，折叠和剪切

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摘要

We report, using molecular dynamics simulation studies, how and under what conditions graphene layers separate, fold and shear during a wedge-based mechanical exfoliation machining technique to produce few-layer graphene. Our previously reported experimental results using this novel technique have shown clear evidence of few-layer graphene being subjected to such phenomena. Molecular simulations of initial wedge engagement show that the entry location of the wedge tip vis-á-vis the nearest graphene layer plays a key role in determining whether layers separate or fold and which layers and how many of them fold. We also show that depending on this entry location several successive layers beneath the wedge undergo significant elastic bending, consuming energies requiring large vertical forces to be imposed by the moving wedge. The layer separation force itself is seen to be minimal and consistent with breaking up of van der Waals interactions. In addition, shearing of layers occurs mainly during wedge exit and depends largely on the wedge speed and also its depth of insertion. Understanding the conditions at which this separation, folding and shearing of the graphene layers takes place, one can control or tune the wedge-based exfoliation technique for particular kinds of graphene layers.
机译：我们使用分子动力学模拟研究报告了，在基于楔形的机械剥离加工技术中，石墨烯层如何以及在什么条件下分离，折叠和剪切，从而生产出几层石墨烯。我们以前使用该新技术报告的实验结果已经清楚地表明了几层石墨烯受到这种现象的影响。初始楔形啮合的分子模拟表明，楔形尖端相对于最近的石墨烯层的进入位置在确定层是分离还是折叠以及哪些层以及其中多少层折叠中起着关键作用。我们还表明，根据该进入位置，楔形下面的几个连续层会发生明显的弹性弯曲，从而消耗能量，从而需要较大的垂直力才能通过移动的楔形作用。层分离力本身被认为是最小的，并且与范德华相互作用的破坏相一致。另外，层的剪切主要发生在楔形件退出期间，并且在很大程度上取决于楔形件的速度及其插入深度。了解了石墨烯层的这种分离，折叠和剪切的条件，人们可以针对特定种类的石墨烯层控制或调整基于楔形的剥离技术。

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