Nanoscale frictional properties of ordered and disordered MoS2

Serpini, Elisabetta; Rota, Alberto; Valeri, Sergio; Ukraintsev, Egor; Rezek, Bohuslav; Polcar, Tomáš; Nicolini, Paolo

doi:10.1016/j.triboint.2019.03.004

Cited by 40 publications

(23 citation statements)

References 59 publications

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“…Both atomic force microscopy (AFM) experiments [4,13] and molecular dynamics (MD) simulation [14,15] have indicated that MoS 2 shows an excellent mechanical property, with the effective Young's modulus of 270 ± 100 GPa and the average breaking strength of about 23 GPa [4]. Macroscopic friction experiments indicate that MoS 2 possesses an excellent lubrication property [16] even in vacuum [17][18][19], while graphene shows a poor lubrication property in dry conditions [20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

et al. 2020

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The effects of in-plane prestrain on the anti-pressure and anti-wear performance of monolayer MoS2 have been investigated by molecular dynamics simulation. The results show that monolayer MoS2 observably improves the load bearing capacity of Pt substrate. The friction reduction effect depends on the deformation degree of monolayer MoS2. The anti-pressure performance of monolayer MoS2 and Pt substrate is enhanced by around 55.02% when compressive prestrain increases by 4.03% and the anti-wear performance is notably improved as well. The improved capacities for resisting the in-plane tensile and out-of-plane compressive deformation are responsible for the outstanding lubrication mechanism of monolayer MoS2. This study provides guidelines for optimizing the anti-pressure and anti-wear performance of MoS2 and other two-dimension materials which are subjected to the in-plane prestrain.

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Section: Introductionmentioning

confidence: 99%

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

et al. 2020

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“…The superior mechanical flexibility (Young Modulus of 0.33±0.07 TPa) and low frictional characteristics of 2D MoS2 shows that it can serve as an effective protective or lubricant layer for NEMS and MEMS which encounters contact sliding during operations [92,93]. Recently, Serpini et al [94]. employed AFM in the lateral force mode (LFM) as an experimental sliding device to study the tribological behavior of MoS2 at the nanoscale.…”

Section: Molybdenum Disulfide (Mos2)mentioning

confidence: 99%

Tribology of 2D Nanomaterials: A Review

Uzoma¹,

Hu²,

Khadem³

et al. 2020

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The exfoliation of graphene has opened a new frontier in material science with a focus on 2D materials. The unique thermal, physical and chemical properties of these materials have made them one of the choicest candidates in novel mechanical and nano-electronic devices. Notably, 2D materials such as graphene, MoS2, WS2, h-BN, and Black Phosphorus have shown outstanding lowest frictional coefficients and wear rates, making them attractive materials for high-performance nano-lubricants and lubricating applications. The objective of this work is to provide a comprehensive overview of the most recent developments in the tribological potentials of 2D materials. At first, the essential physical, wear, and frictional characteristics of the 2D materials including their production techniques are discussed. Subsequently, the experimental explorations and theoretical simulations of the most common 2D materials are reviewed in regards to their tribological applications such as their use as solid lubricants and surface lubricant nano-additives. The effects of micro/nano textures on friction behavior are also reviewed. Finally, the current challenges in tribological applications of 2D materials and their prospects are discussed.

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“… 17 Recent techniques based on atomic force microscopy in the lateral fore mode have been used to experimentally explore the tribological properties between scanning probes and 2D nanosheets. 22 , 23 However, since the reported frictional measurements were performed on only a homogeneous layer, and significant changes in probe shape or nanosheet surface chemistry cannot be ignored during the experiments. It is still a challenge to accurately simulate 2D materials interfacial friction behavior and investigate friction properties.…”

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Superlubricity in Ti₂CO₂@MoS₂ Layered Heterojunctions Interface: A First Principles Calculation Study

et al. 2021

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The two dimensional (2D)-layered transition-metal carbides and nitrides (MXene) have been proved to be an excellent solid lubricant owing to their high mechanical strength, low shearing strength, and self-lubricating properties. However, the interfacial friction behavior between Ti n +1 C n ( n = 1, 2) MXene and its heterogeneous system is not thoroughly exploited yet. Here, four types of van der Waals structures (Ti 2 CO 2 @Ti 2 CO 2 , Ti 3 C 2 O 2 @Ti 3 C 2 O 2 MoS 2 @MoS 2 , and Ti 2 CO 2 @MoS 2 ) have been investigated by density functional theory (DFT) calculations. The results exhibit that Ti 2 CO 2 @MoS 2 possesses the lowest sliding energy barrier around 0.015 eV/oxygen(O) atom compared with the other three constructed models. Therefore, this work mainly focuses on the inner relation of Ti 2 CO 2 @MoS 2 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.

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Nanoscale frictional properties of ordered and disordered MoS2

Cited by 40 publications

References 59 publications

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

Tribology of 2D Nanomaterials: A Review

Atomic-Scale Superlubricity in Ti₂CO₂@MoS₂ Layered Heterojunctions Interface: A First Principles Calculation Study

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Nanoscale frictional properties of ordered and disordered MoS2

Cited by 40 publications

References 59 publications

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

Tribology of 2D Nanomaterials: A Review

Atomic-Scale Superlubricity in Ti2CO2@MoS2 Layered Heterojunctions Interface: A First Principles Calculation Study

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Atomic-Scale Superlubricity in Ti₂CO₂@MoS₂ Layered Heterojunctions Interface: A First Principles Calculation Study