Atomic-Scale Friction on Monovacancy-Defective Graphene and Single-Layer Molybdenum-Disulfide by Numerical Analysis.

ABSTRACT: Using numerical simulations, we study the atomic-scale frictional behaviors of monovacancy-defective graphene and single-layer molybdenum-disulfide (SLMoS2) based on the classical Prandtl-Tomlinson (PT) model with a modified interaction potential considering the Schwoebel-Ehrlich barrier. Due to the presence of a monovacancy defect on the surface, the frictional forces were significantly enhanced. The effects of the PT model parameters on the frictional properties of monovacancy-defective graphene and SLMoS2 were analyzed, and it showed that the spring constant of the pulling spring cx is the most influential parameter on the stick-slip motion in the vicinity of the vacancy defect. Besides, monovacancy-defective SLMoS2 is found to be more sensitive to the stick-slip motion at the vacancy d

SUBMITTER: Pang H 

PROVIDER: S-EPMC7023280 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature