Zhan Hao, Tan Xinfeng, Xie Guoxin, Guo Dan
State Key Laboratory of Tribology, Department of Mechanical Engineering, Tsinghua University, Beijing, 100084, China.
Small. 2021 Apr;17(13):e2005996. doi: 10.1002/smll.202005996. Epub 2021 Mar 9.
The potential applications of 2D layered materials (2DLMs) as the functional membranes in flexible electronics and nano-electromechanical systems emphasize the role of the mechanical properties of these materials. Interlayer interactions play critical roles in affecting the mechanical properties of 2DLMs, and nevertheless the understanding of their relationship remains incomplete. In the present work, it is reported that the fracture strength of few-layer (FL) WS can be weakened by the interlayer friction among individual layers with the assistance of finite element simulations and density functional theory (DFT) calculations. The reduced fracture strength can be also observed in FL WSe but with a lesser extent, which is attributed to the difference in the interlayer sliding energies of WS and WSe as confirmed by DFT calculations. Moreover, the tip-membrane friction can give rise to the underestimation of the Young's modulus except for the membrane nonlinearity. These results give deep insights into the influence of interfacial interactions on the mechanical properties of 2DLMs, and suggest that importance should be also attached to the interlayer interactions during the design of nanodevices with 2DLMs as the functional materials.
二维层状材料(2DLMs)作为柔性电子和纳米机电系统中的功能膜的潜在应用突出了这些材料机械性能的作用。层间相互作用在影响2DLMs的机械性能方面起着关键作用,然而对它们之间关系的理解仍然不完整。在本工作中,通过有限元模拟和密度泛函理论(DFT)计算表明,在各层之间的层间摩擦作用下,少层(FL)WS的断裂强度会被削弱。在FL WSe中也能观察到断裂强度降低,但程度较小,这归因于DFT计算所证实的WS和WSe层间滑动能的差异。此外,除了膜的非线性外,针尖 - 膜摩擦会导致杨氏模量的低估。这些结果深入揭示了界面相互作用对2DLMs机械性能的影响,并表明在设计以2DLMs为功能材料的纳米器件时,也应重视层间相互作用。