之字形的
石墨烯
材料科学
分子动力学
皱纹
原子单位
变形(气象学)
凝聚态物理
Atom(片上系统)
复合材料
纳米技术
几何学
化学
物理
计算化学
量子力学
嵌入式系统
计算机科学
数学
作者
Anbo Cao,Bin Shen,Qiang Lin,Sulin Chen,Zhewei Huang,Zhe Ji,Zhinan Zhang
标识
DOI:10.1016/j.commatsci.2019.109423
摘要
By using molecular dynamics simulation, we reveal that Stone-Wales defect increases the friction of graphene in both the armchair and zigzag direction. The friction enhancement results from two distinctive mechanisms. One is the pinning effect between several tip bottom atoms and the heptagons. In this case, the potential barrier of heptagons is larger than hexagons, and therefore the resistance is increased when a tip atom passes above these rings. The other mechanism is that the strong resistance to out-of-plane deformation leads to higher pucker beside the defect at certain moments and thus modifies the configuration of wrinkle. This effect is dependent on the trajectory of sliding. Our study provides new insight into the atomic scale friction of defective graphene.
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