Simulated nanoscale peeling process of monolayer graphene sheet: effect of edge structure and lifting position
Simulated nanoscale peeling process of monolayer graphene sheet: effect of edge structure and lifting position
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DOI：
10.1155/2010/742127
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发表时间：
2010
影响因子：
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通讯作者：
N. Sasaki;Hideaki Okamoto;Shingen Masuda;K. Miura;Noriaki Itamura
中科院分区：
文献类型：
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作者：
N. Sasaki;Hideaki Okamoto;Shingen Masuda;K. Miura;Noriaki Itamura
通过分子力学模拟对石墨表面石墨烯片的纳米级剥离进行了数值研究。对于中心提升情况，提升中心周围石墨烯的连续部分剥离表现为力曲线中的离散跳跃，从而引起石墨烯片的拱形变形。对于边缘提升情况，在纳米级剥离过程中发现了石墨烯片的显着原子级摩擦。在表面接触过程中，石墨烯片发生原子级滑动。表面接触期间剥离力曲线的周期减小至石墨的晶格周期。在线接触过程中，石墨烯片也进行粘滑滑动运动。这些发现表明不仅可以直接观察石墨烯片在尖端/表面界面处的原子级摩擦，还可以识别石墨烯片的晶格取向和边缘结构。
The nanoscale peeling of the graphene sheet on the graphite surface is numerically studied by molecular mechanics simulation. For center-lifting case, the successive partial peelings of the graphene around the lifting center appear as discrete jumps in the force curve, which induce the arched deformation of the graphene sheet. For edge-lifting case, marked atomic-scale friction of the graphene sheet during the nanoscale peeling process is found. During the surface contact, the graphene sheet takes the atomicscale sliding motion. The period of the peeling force curve during the surface contact decreases to the lattice period of the graphite. During the line contact, the graphene sheet also takes the stick-slip sliding motion. These findings indicate the possibility of not only the direct observation of the atomic-scale friction of the graphene sheet at the tip/surface interface but also the identification of the lattice orientation and the edge structure of the graphene sheet.