Molecular dynamics simulation of the interlayer sliding behavior in few-layer graphene

作者：Xu, Liang; Ma, Tian-bao; Hu, Yuan-zhong^*; Wang, Hui

来源：Carbon, 2012, 50(3): 1025-1032.

DOI：10.1016/j.carbon.2011.10.006

The interlayer sliding behavior of few-layer (3-8) graphene (FLG) is investigated using molecular dynamics simulations. A constant velocity is imposed on the top layer, inducing relative sliding between layers. With multiple interlayer interfaces, the sliding is found to present unique behavior, such as coherent sliding at multiple interfaces and a periodic layer-stacking transition, which is quite different from previously reported flake-on-substrate cases. It is observed that sliding is usually "stick-slip", and can be divided into three stages, i.e. an initial stage, a developing stage and a stable sliding stage. A novel mechanism is proposed which explains the origin of the unique sliding behavior of FLG.

• 出版日期2012-3
• 单位清华大学