Hydrogen-passivation modulation on the friction behavior of graphene with vacancy defects under strain engineering

Li, Jiahao; Peng, Yong; Tang, Xianqiong; Liu, Bo; Bai, Lichun; Zhou, Kun

doi:10.1016/j.apsusc.2021.152055

Cited by 17 publications

(6 citation statements)

References 51 publications

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“…In addition to the phonon dissipation part of the friction simulated by MD, the introduction of defects also caused electron transfer, as can be seen in Figure 8b, where the charge was transferred from the defect to the surrounding atoms after relaxation, and this inhomogeneous charge distribution also caused an increase in the frictional force. 16,26 In general, due to the presence of defects, the tip has to overcome a larger sliding potential barrier, which is beneficial for increasing friction. The effect of the variations in the tip trajectory perpendicular to the sliding direction on friction is uncertain, with the possibility of either increasing or decreasing friction, and an increase in the potential due to a change in trajectory can significantly increase the friction and vice versa.…”

Section: ■ Resultsmentioning

confidence: 99%

“…As shown in Figure a, the lattice relaxation caused by the single Te atom vacancy defect had a wide range of effects (in the green dashed box), and the change in atomic position caused a change in the sliding potential energy, which affects the initial sliding position of the tip and the sliding energy barrier. In addition to the phonon dissipation part of the friction simulated by MD, the introduction of defects also caused electron transfer, as can be seen in Figure b, where the charge was transferred from the defect to the surrounding atoms after relaxation, and this inhomogeneous charge distribution also caused an increase in the frictional force. , …”

Section: Discussionmentioning

confidence: 96%

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Nonmonotonic Effects of Atomic Vacancy Defects on Friction

Zhang,

Chen,

Tan

et al. 2023

ACS Appl. Mater. Interfaces

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The presence of defects such as vacancies has a significant impact on the frictional properties of 2D materials that are excellent solid lubricants. In this study, we demonstrate that the nonmonotonic effect of Te vacancy defects on the friction of MoTe2 is related to the change in the maximum sliding energy barrier due to the variation in tip position. The experimental results of atomic force microscopy suggest that the friction shows an overall increasing trend with the increase in Te vacancy density, but this variation is nonmonotonic. Molecular dynamics simulations show that the increase in friction force with defect density can be attributed to the large and more sliding energy barriers that the tip has to overcome. Furthermore, the nonmonotonic variation of friction with defect density is dominated by the change of the maximum sliding potential barrier caused by the variation of tip position perpendicular to the sliding direction during the sliding process. Additionally, the uneven charge distribution due to charge transfer occurring at the defect also contributes to the increase in friction. This work shows the mechanism of the effect of Te vacancy defects on the friction of MoTe2, which provides guidance for the modulation of the frictional properties of solid lubricants.

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Section: ■ Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 96%

Nonmonotonic Effects of Atomic Vacancy Defects on Friction

Zhang,

Chen,

Tan

et al. 2023

ACS Appl. Mater. Interfaces

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“…A material that has excellent properties for forming a sliding layer is graphite, which has been used as a solid lubricant for decades [13]. The lubricating properties of graphite can be explained by its lamellar structure with weak interlayer bonding, allowing sheets to slide easily horizontally along each other under shear stresses [14,15].…”

Section: Introductionmentioning

confidence: 99%

Sliding Layer Formation during Tribological Contact between Expanded Graphite and Stainless Steel—A Pilot Study

Rewolińska,

Leksycki,

Perz

et al. 2024

Applied Sciences

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The sliding layer created during operation of the expanded graphite–steel combination has had a huge impact on the effectiveness of the friction process, and thus on the sustainable development of society. Knowledge of the factors determining the properties of the sliding layer will make it possible to reduce friction resistance in the future through the proper design and selection of sliding pairs for given applications. This paper studies the effect of the moisture content of expanded graphite on the formation of a sliding layer on a stainless steel surface. The tests were carried out in static contact for 30 s and dynamic contact for 15 and 30 min, for loads of 10, 20, and 30 N and speeds of 25 and 50 mm/s. To determine the changes in surface geometry due to material transfer, the Ra roughness value of the surface of stainless steel samples was measured. In order to realize the purpose of the work and evaluate the effect of moist rings on the resulting sliding layer, the results of the surface roughness of stainless steel samples working with dry and moist graphite rings were compiled. The obtained results show that the presence of water in the stainless steel-expanded graphite friction node affects the formation of a sliding layer. The resulting layer reduces the surface roughness of the cooperating materials and prevents their accelerated wear. After 5 min of work with the water-soaked graphite counter-sample, depending on the applied friction conditions, a reduction in the surface roughness of the stainless steel sample was achieved in the range of 11–18% compared to the initial value. After 30 min of operation, the surface roughness decreased by 3 to 25%. Pilot studies have shown that operating conditions influence the formation of a sliding layer in the stainless steel-expanded graphite tribological contact. This confirms the validity of conducting further research in this area.

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“…However, researchers have found that intrinsic graphene has weak adsorption capacity for most gases, mainly because its inherent 'zero band gap' characteristic limits its application, so it is not suitable for use as a detection material for gas sensors. Through in-depth research, it is found that through physical defects [7,8] or chemical atom doping [9][10][11][12], graphene can generate a band gap, improve the properties of graphene, and improve its gas-sensing performance. However, its The size of the band gap is difficult to control.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of gas molecule adsorption on Ga-doped silicene

Li,

Zhao,

et al. 2023

Phys. Scr.

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In this paper, based on first-principles calculations, the geometric structure and electronic properties of intrinsic silicene and metal element Ga doped silicene were studied, and three harmful gases CO, SO2 and NH3 gas molecules and H2O molecules were analyzed in two adsorption properties on the surface of two material. For each gas molecule, the optimal adsorption site was tried and determined, and parameters such as adsorption distance, adsorption energy, transfer charge, recovery time, and density of states were calculated to understand the adsorption mechanism. It was found that the adsorption capacity of the selected gas molecules on intrinsic silicene was weak except for NH3. While Ga doped silicene is a relatively stable structure, the adsorption energies of CO, SO2 and NH3 gas molecules on its surface increase in different degrees, the adsorption energies are −0.51 eV, −0.82 eV and −0.73 eV, but no adsorption to H2O. The results show that the doping of Ga atoms improves the adsorption performance of silicene materials, and is less affected by the humidity in the air in practical applications, which provides a theoretical reference for the gas-sensing properties of Ga doped silicene materials.

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Hydrogen-passivation modulation on the friction behavior of graphene with vacancy defects under strain engineering

Cited by 17 publications

References 51 publications

Nonmonotonic Effects of Atomic Vacancy Defects on Friction

Nonmonotonic Effects of Atomic Vacancy Defects on Friction

Sliding Layer Formation during Tribological Contact between Expanded Graphite and Stainless Steel—A Pilot Study

First-principles study of gas molecule adsorption on Ga-doped silicene

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