Atomic-Scale Superlubricity in Ti<sub>2</sub>CO<sub>2</sub>@MoS<sub>2</sub> Layered Heterojunctions Interface: A First Principles Calculation Study
Youwei Zhang, Xingzhu Chen, Arramel Arramel, Kwaw Blankson Augustine, Peng Zhang, Jizhou Jiang, Qi Wu, Neng Li
Abstract
interlayer friction behaviors and its attributing factors, including normal force and charge density. The DFT analysis shows that the roughness of the potential energy corrugated plane is positively correlated with normal force and predicted the ultralow friction coefficient (μ) at 0.09 when sliding along the minimum energy potential route. Moreover, friction coefficient fluctuates at the normal force less than 10 nN determined by the combined effect of interfacial charge interlock and redistribution. This work reveals the intrinsic connection between the friction and charge interaction at heterogeneous interfaces.
Topics & Concepts
Materials scienceDensity functional theoryvan der Waals forceHeterojunctionWork (physics)Surface finishCondensed matter physicsLubricantShearing (physics)Composite materialThermodynamicsComputational chemistryChemistryOrganic chemistryPhysicsMoleculeOptoelectronicsMXene and MAX Phase MaterialsMetal and Thin Film Mechanics2D Materials and Applications