论文标题
滑动摩擦对二维系统对电负性的依赖性
Dependency of Sliding Friction for Two Dimensional Systems on Electronegativity
论文作者
论文摘要
我们使用范德华（VDW）校正的密度功能理论（DFT）研究了电负性在五个不同的二维（2D）单层系统的滑动摩擦中的作用。我们表明，相称的2D层次系统之间的摩擦在很大程度上取决于所涉及原子的电负性差异。当沿着非极性路径滑动时，所有2D层结构都表现出几乎相同的摩擦力，而与材料和表面结构无关。相比之下，对于沿极性路径的滑动摩擦，摩擦力遵守通用线性缩放定律，这是其成分原子的电负性差异的函数。进一步的分析表明，由电负性差异引起的2D单层中的原子偶极子增强了电荷分布的波纹，并相应地增加了滑动屏障。我们的研究表明，电负性在低维系统的摩擦中起着重要作用，并将提供进一步设计纳米级设备的策略。
We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW) corrections. We show that the friction between the commensurate 2D layered systems depends strongly on the electronegativity difference of the involved atoms. All the 2D layered structures exhibit almost the same magnitude of friction force when sliding along the nonpolar path, independent of the material and the surface structures. In contrast, for sliding friction along the polar path, the friction force obeys a universal linear scaling law as a function of the electronegativity difference of its constituent atoms. Further analyses demonstrate that atomic dipoles in the 2D monolayers induced by the electronegativity difference enhance the corrugation of charge distribution and increase the sliding barrier accordingly. Our studies reveal that electronegativity plays an important role in friction of low dimensional systems, and will provide a strategy for designing nanoscale devices further.
