电负性
范德瓦尔斯力
单层
卡西米尔效应
材料科学
缩放比例
密度泛函理论
偶极子
从头算
凝聚态物理
经典力学
纳米技术
物理
计算化学
化学
分子
量子力学
几何学
数学
作者
Jianjun Wang,A. Tiwari,Jie Gao,Yang Huang,Yu Jia,B. N. J. Persson
出处
期刊:Physical review
[American Physical Society]
日期:2022-04-27
卷期号:105 (16)
被引量:6
标识
DOI:10.1103/physrevb.105.165431
摘要
We study the role of electronegativity in sliding friction for five different two-dimensional (2D) monolayer systems using ab initio calculations within density functional theory with van der Waals corrections. We show that the friction depends strongly on the involved atoms' electronegativity difference. All the studied systems exhibit almost the same magnitude of the friction force when sliding along the nonpolar path, independent of the material and the surface structures. In contrast, for sliding friction along a polar path, the friction force obeys a universal linear scaling law where the friction force is proportional to the electronegativity difference of its constituent atoms. We show that atomic dipoles in the 2D monolayers, induced by the electronegativity difference, enhance the corrugation of the charge distribution and increase the sliding barriers accordingly. Our studies reveal that electronegativity plays an important role in the friction of low-dimensional systems, and provides a strategy for designing nanoscale devices.
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