Interaction Energy between Graphene and a Silicon Substrate Using Pairwise Summation of the Lennard-Jones Potential

Inui, Norio; Iwasaki, Shun

doi:10.1380/ejssnt.2017.40

Cited by 28 publications

(7 citation statements)

References 24 publications

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“…We found the binding energy to be À0.1014 J=m 2 . This result agrees with the one obtained by Norio Inui and Sho Iwasaki [20]. As we can see from the Figure 8, the cohesive energy of graphite is much more superior to the binding energy between graphene and silicon.…”

Section: Resultssupporting

confidence: 92%

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Graphene Exfoliation from HOPG Using the Difference in Binding Energy between Graphite, Graphene and a Substrate

Kamta¹

2023

Graphene - A Wonder Material for Scientists and Engineers

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Since its discovery in 2004, the graphene global market had a huge/considerable growth. Such growth can be explained by the use of graphene in specific or targeted applications where it has a huge and clear advantage. Although graphene is growing and has many possible applications, its market fraction is insignificant compared to the carbon global market. This is simply explained because the industry still has challenges related to quality, costs, reproducibility and safety. In this chapter, we propose a new look on the mechanical exfoliation. Basically, based on the difference in binding energy between graphite, graphene and a substrate we can exfoliate. The binding energy is the energy between materials at equilibrium. When 3 materials A-B-C are interacting, if the binding energy between A-B is superior to B-C, then by moving A in the opposite direction, B will follow. Based on that, we calculated the interaction potential between graphite, graphene and a substrate using the standard Lennard-Jones potential. Conventional substrates like silicon and silicon dioxide cannot exfoliate while gold, silver and copper can at 3.2 to 3.3 Å. This difference may be because of their higher atomic density and modest lattice parameter compared to others substrates used in this study.

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Section: Resultssupporting

confidence: 92%

“…Atoms parameters of ε and σ are mostly defined by experiments. The parameters values ε,σ for different atoms combinations were obtained through Rappe et al [19], and the references [20,21] by using the formulas:…”

Section: Parameters ε σmentioning

confidence: 99%

Graphene Exfoliation from HOPG Using the Difference in Binding Energy between Graphite, Graphene and a Substrate

Kamta¹

2023

Graphene - A Wonder Material for Scientists and Engineers

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“…For the probes used in this experiment are electrically neutral, electrostatic forces can be excluded from adhesion. Besides, the force curve drops off fast and becomes zero for few nanometers away, which contradicts the long-range nature of the electrostatic force (Butt et al 2005;Inui and Iwasaki 2017). Considering the chemical nature of the substrate and the silica tip, the approaching/separation process is considered to be physical, and new chemical bonds are unlikely to form between them at room temperature.…”

Section: Discussionmentioning

confidence: 99%

Effect of dilute acid treatment on adhesion properties of Longmaxi black shale

et al. 2019

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Properties of shale in an acid environment are important when acid or CO 2 is injected into geologic formations as a working fluid for enhanced oil and gas recovery, hydraulic fracturing and reduced fracture initiation pressure. It has previously been shown that acid fluids can enhance the formation conductivity and decrease the hardness of shale. However, less is known about the effect of dilute acid on the adhesion properties of shale. In the study, shale samples are characterized in detail with advanced analysis. Adhesion properties of shale via dilute acid treatment were revealed by atomic force microscopy (AFM) for the first time. Results indicate that acid treatment can greatly enhance adhesion forces of the shale surface. After acid treatment, the average adhesion forces show a platform-like growth with an increase in loading force. Through analysis of results from AFM, scanning electron microscopy, and X-ray diffraction, we affirm that the enhanced adhesion forces are mainly from increased specific surface area and reduced elastic modulus. The results presented in this work help understand the adhesion properties of shale oil/gas present in an acidic environment, which have great significance in unconventional resources development.

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“…The L-J potential parameters for carbon atoms in abrasive and carbon atoms in substrate are = 0.002967eV , σ = 3.407 Å [36]. And the L-J potential parameters for carbon atoms in abrasive and silicon atoms in substrate are = 0.008909 eV , σ = 3.326 Å [37].…”

Section: Methodsmentioning

confidence: 99%

Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive

Yin

Zhu

et al. 2021

Tribol Lett

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In the present study, molecular dynamics (MD) simulations are applied to investigate the polishing process of cubic silicon carbide (3C-SiC) with a rotating abrasive. The influence of abrasive rotational speed and rotation axis orientation on the friction characteristics and deformation behaviors of 3C-SiC is studied. The results show that as the rotational speed increases, the normal force first increases until it reaches its maximum at 25 rad/ns and then decreases. The evolution of transverse force with the rotational speed is more complicated and the smallest transverse force and friction coefficient are obtained at the rotational speed of 50 rad/ns. Besides, the transverse force increases while the normal force decreases with the rotation angle when the angular velocity vector of the rotational abrasive is parallel to the substrate surface. The case when the rotational speed is 25 rad/ns and the rotation angle is 0 is a significant critical situation. At the critical situation, we observe the lowest material removal rate, the deepest subsurface damage layer, the biggest high stress region and the smallest high temperature region for all rotational speeds and rotation axis orientations. Moreover, in the simulations, phase transformation (mainly amorphization) induced by high pressure is more pronounced than that by thermal effect. The results gained can shed light on the atomic-scale material removal and deformation mechanisms of 3C-SiC during polishing process.

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Interaction Energy between Graphene and a Silicon Substrate Using Pairwise Summation of the Lennard-Jones Potential

Cited by 28 publications

References 24 publications

Graphene Exfoliation from HOPG Using the Difference in Binding Energy between Graphite, Graphene and a Substrate

Graphene Exfoliation from HOPG Using the Difference in Binding Energy between Graphite, Graphene and a Substrate

Effect of dilute acid treatment on adhesion properties of Longmaxi black shale

Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive

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