The evolution of configuration and final state of graphene on rough iron surface

He, Xiaodong; Bai, Qingshun; Shen, Rongqi; Zhang, Feihu; Guo, You Guang

doi:10.1016/j.apsusc.2020.147084

Cited by 14 publications

(11 citation statements)

References 46 publications

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“…For the S q dia of 3.769 Å, the graphene is 8.8% smoother than the rough diamond surface. By contrast, the roughness of graphene is only 4.0% smoother than that of iron ( S q = 3) . The difference could be attributed to the weak adhesion intensity between graphene and diamond lattice.…”

Section: Resultsmentioning

confidence: 87%

“…Concretely, the magnitude of E ad between graphene and diamond (111) with orientation angle of 0° is the strongest (0.0440 eV/C atom), which is 5.51% larger than that on diamond (110) with orientation angle of 17.5° (0.0417 eV/C atom). Nevertheless, the adhesion between graphene and the ideal diamond (111) facet is still thought of as weak binding since it is significantly lower than that on nickel and iron. , As the diamond (111) has been applied in previous experimental studies, ,, the diamond (111) facet is recommended for the fabrication of the graphene–diamond heterostructure owing to its relatively high interfacial adhesion strength.…”

Section: Resultsmentioning

confidence: 99%

“…Nevertheless, the adhesion between graphene and the ideal diamond (111) facet is still thought of as weak binding since it is significantly lower than that on nickel and iron. 26,53 As the diamond (111) has been applied in previous experimental studies, 44,54,55 the diamond (111) facet is recommended for the fabrication of the graphene−diamond heterostructure owing to its relatively high interfacial adhesion strength.…”

Section: ■ Computational Detailsmentioning

confidence: 99%

“…By contrast, the roughness of graphene is only 4.0% smoother than that of iron (S q = 3). 53 The difference could be attributed to the weak adhesion intensity between graphene and diamond lattice. These results could be used as a reference to predict the adhesion intensity between graphene and diamond with various roughness values; nevertheless, what calls for special attention is such linear dependence fails when the S q dia increases to 9.593 Å due to the suspension of graphene, as evidenced by Figure 8d.…”

Section: ■ Computational Detailsmentioning

confidence: 99%

See 3 more Smart Citations

Surface-Dependent Adhesion Properties of Graphene on Diamonds for the Fabrication of Nanodevices: A Molecular Dynamics Investigation

Chen

Bai

Wang

et al. 2023

ACS Appl. Nano Mater.

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The physical performance of a heterostructure is strongly influenced by the adhesion properties. The study of adhesion properties between graphene and diamond lattice is an inescapable issue in the development of diamond-based graphene multifunctional nanodevices. Herein, a series of adhesion intensities have been theoretically examined, and the optimum facet of diamond and theoretically recommended orientation angle were obtained, respectively. Moreover, the atomistic peeling behavior and the effect of three typical graphene topological defects on adhesion intensity were explored. The study demonstrated that the presence of double-vacancy defects impairs the adhesion strength due to the reduction of the contact area. In contrast, the presence of Stone-Wales defects is conducive to enhancing the adhesion strength. Interestingly, the effect of single-vacancy defects mainly depends on the delicate competition between single-atom removal and single-atom attraction enhancement. Meanwhile, the effects of diamond surface morphology on graphene adhesion were systematically elaborated by the modeling of one-dimensional and two-dimensional surfaces, and randomly rough surfaces. The adhesion details of graphene on regularly tunable diamonds were explored, and the relations of adhesion intensity and graphene morphology with the random roughness of a diamond surface were further revealed in depth. Since the mechanical and electrical performance of a graphene–diamond heterostructure is sensitively influenced by the adhesion intensity, our findings provide insight into the substrate design of graphene–diamond hybrid devices.

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Section: Resultsmentioning

confidence: 87%

Section: Resultsmentioning

confidence: 99%

Section: ■ Computational Detailsmentioning

confidence: 99%

Section: ■ Computational Detailsmentioning

confidence: 99%

See 2 more Smart Citations

Surface-Dependent Adhesion Properties of Graphene on Diamonds for the Fabrication of Nanodevices: A Molecular Dynamics Investigation

Chen

Bai

Wang

et al. 2023

ACS Appl. Nano Mater.

Self Cite

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“…11,12 At the same time, the researchers further improved the explanation of graphene nanofriction behavior based on the original theoretical model and combined it with experimental results. 13 It is noteworthy that the most explanatory mechanisms state that the adsorption state directly affects the friction behavior of graphene. The stronger the adsorption of the substrate to graphene, the easier the frictional strengthening behavior is suppressed.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Study on the Effects of Substrate Grain Boundaries on the Adsorption State of Graphene: Implications for Nanoscale Lubrication

Guo

Bai

Dou

et al. 2023

ACS Appl. Nano Mater.

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Graphene on polycrystalline surfaces, such as stainless steel, exhibits frictional strengthening properties during nanofriction. The adsorption state of graphene is directly related to the nanofriction behavior, and graphene's adsorption state is affected by substrate grain boundaries. However, the mechanism of the influence of the substrate grain boundaries on the adsorption state of graphene is not clear. Herein, the adsorption states of graphene on different stainless-steel grain boundary surfaces are analyzed, and the mechanism of the substrate grain boundaries regulating the surface graphene bulge is revealed. The notion that graphene bulges are related to the type of substrate grain boundaries has been confirmed. Moreover, we demonstrate that the difference in the crystal surfaces on both sides of the grain boundaries and the gradient of adsorption energy are the key factors regulating the graphene bulge. Graphene bulging can only be caused by the existence of crystal surface differences in the grain boundary structure; therefore, the tilt grain boundaries are unable to cause graphene bulging. In addition, the adsorption energy distribution within the grain boundary will also influence graphene bulging if there is a grain surface difference in the grain boundary structure. When the direction of the adsorption energy gradient is perpendicular to the grain boundary, such a grain boundary structure favors the appearance of graphene bulges. In contrast, graphene bulging is suppressed when the direction of the adsorption energy gradient is parallel to the grain boundary. It provides a theoretical basis for explaining graphene's nanofriction on polycrystalline substrates such as stainless steel. It is important for the use of graphene for the nano-lubrication of stainless-steel components in microelectromechanical systems.

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Pinning of graphene for conformal wrinkling over a soft corrugated substrate through prestretch-release process

Pandey

Parida

Ranjan

et al. 2023

Applied Surface Science Advances

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The evolution of configuration and final state of graphene on rough iron surface

Cited by 14 publications

References 46 publications

Surface-Dependent Adhesion Properties of Graphene on Diamonds for the Fabrication of Nanodevices: A Molecular Dynamics Investigation

Surface-Dependent Adhesion Properties of Graphene on Diamonds for the Fabrication of Nanodevices: A Molecular Dynamics Investigation

Molecular Dynamics Study on the Effects of Substrate Grain Boundaries on the Adsorption State of Graphene: Implications for Nanoscale Lubrication

Pinning of graphene for conformal wrinkling over a soft corrugated substrate through prestretch-release process

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