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Atomic Scale Simulation on the Anti-Pressure and Friction Reduction Mechanisms of MoS2 Monolayer

State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China
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Materials 2018, 11(5), 683; https://doi.org/10.3390/ma11050683
Received: 7 April 2018 / Revised: 24 April 2018 / Accepted: 26 April 2018 / Published: 27 April 2018
MoS2 nanosheets can be used as solid lubricants or additives of lubricating oils to reduce friction and resist wear. However, the atomic scale mechanism still needs to be illustrated. Herein, molecular simulations on the indentation and scratching process of MoS2 monolayer supported by Pt(111) surface were conducted to study the anti-pressure and friction reduction mechanisms of the MoS2 monolayer. Three deformation stages of Pt-supported MoS2 monolayer were found during the indentation process: elastic deformation, plastic deformation and finally, complete rupture. The MoS2 monolayer showed an excellent friction reduction effect at the first two stages, as a result of enhanced load bearing capacity and reduced deformation degree of the substrate. Unlike graphene, rupture of the Pt-supported MoS2 monolayer was related primarily to out-of-plane compression of the monolayer. These results provide a new insight into the relationship between the mechanical properties and lubrication properties of 2D materials. View Full-Text
Keywords: MoS2 monolayer; indentation; rupture; scratch; friction; molecular dynamics MoS2 monolayer; indentation; rupture; scratch; friction; molecular dynamics
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MDPI and ACS Style

Liu, Y.; Liu, Y.; Ma, T.; Luo, J. Atomic Scale Simulation on the Anti-Pressure and Friction Reduction Mechanisms of MoS2 Monolayer. Materials 2018, 11, 683.

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