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The effects of stacking mode and thickness on the frictional behaviour of multilayer silicene

机译：堆叠模式和厚度对多层硅摩擦行为的影响

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摘要

Understanding the contact behaviour of 2D materials in nanoscale is of great importance for their applications. In the present work, molecular dynamics simulation is employed to study the frictional behaviour of the AA ' and AB stacked multilayer silicene for up to 4 layers placed on the weakly adhesive amorphous SiO(2)substrate with a sliding AFM tip. During the sliding process, the AFM cantilever represented by virtual atoms moves with the velocity of 2 m s(-1)along the zigzag direction under a load of 2 nN at 300 K. The stick-slip frictional behaviour shows high sensitivity to the number of layers. As the thickness increases, the friction force first increases from the monolayer to bilayer and then decreases from the bilayer to 4-layer, which shows an exotic tendency for the first time among all the reported lamellar materials to date where the friction usually decreases monotonically with thickness. For all the investigated thicknesses, the friction on AA '-stacked silicene is slightly larger than the AB stacked counterpart, and the difference diminishes with increasing thickness. The frictional behaviour of AA ' bilayer presents the highest peak force with evolving weakening phenomenon induced by a phase transition to the planar structure. Herein, we analyze the frictional force distribution on the tip with kurtosis and skewness as measurement parameters for the commensurability and rigidity components, respectively. The contact area between silicene and the diamond tip is compared for different silicene morphologies. The result shows an affinity between friction and rigidity of multilayer silicene, which is closely related to the interlayer covalent bonds and limited shear between sublayers.
机译：了解纳米级中的2D材料的接触行为对于他们的应用具有重要意义。在本作本作中，采用分子动力学模拟来研究AA'和AB堆叠多层硅的摩擦行为，最多4层放在弱粘合的非晶SiO（2）基板上，其具有滑动AFM尖端。在滑动过程中，虚拟原子代表的AFM悬臂在300k的2 nn的载荷下沿着zigzag方向移动，沿着zig形方向移动。粘滑摩擦行为显示对数量的高敏感性层。随着厚度的增加，摩擦力首先从单层到双层增加，然后从双层到4层减小，这在所有报告的层状材料中首次显示出异国情调的趋势，迄今为止摩擦通常单调地减小厚度。对于所有调查的厚度，AA的堆积硅氏型摩擦略大于AB堆叠对应物，并且差异随着厚度的增加而减小。 AA'双层的摩擦行为呈现出最高峰值力，其具有通过对平面结构的相位过渡诱导的弱化现象的最高峰值力。这里，我们分别分析尖端上的摩擦力分布，分别作为抗性性和刚性组分的测量参数。比较硅和金刚石尖端之间的接触面积以比较不同的硅形态。结果表明了多层硅摩擦和刚性之间的亲和力，其与层间共价键密切相关，并且在子层之间的有限剪切。

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  • 来源
    《RSC Advances》 |2020年第55期|共8页
  • 作者

    Qian Chen; Wang Jiugen;

  • 作者单位

    Zhejiang Univ Dept Mech Engn 866 Yuhangtang Rd Hangzhou 310058 Peoples R China;

    Zhejiang Univ Dept Mech Engn 866 Yuhangtang Rd Hangzhou 310058 Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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