2022
DOI: 10.1039/d2cp00074a
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Delamination of MoS2/SiO2 interfaces under nanoindentation

Abstract: Molybdenum disulfide (MoS2) mounted on silicon dioxide (SiO2) constitutes the fundamental functional components of many nanodevices, but its mechanical properties, which are crucial for the device design and fabrication, are...

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Cited by 11 publications
(5 citation statements)
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“…This observation implies that the pivotal factor influencing friction properties lies in the out-of-plane migration of Mo atoms. 32 The EDS spectra, as depicted in Figure 4, reveal the elemental composition on the DE@MoS 2 -SM microcapsules' surface. As anticipated, Mo, S, Na, Si, and O exhibited uniform distribution across the entire surface.…”
Section: ■ Results and Discussionmentioning
confidence: 98%
See 1 more Smart Citation
“…This observation implies that the pivotal factor influencing friction properties lies in the out-of-plane migration of Mo atoms. 32 The EDS spectra, as depicted in Figure 4, reveal the elemental composition on the DE@MoS 2 -SM microcapsules' surface. As anticipated, Mo, S, Na, Si, and O exhibited uniform distribution across the entire surface.…”
Section: ■ Results and Discussionmentioning
confidence: 98%
“…The simulated superstructure exerts a notable effect on external deformation, which diminishes with an increase in the external mismatch angle. This observation implies that the pivotal factor influencing friction properties lies in the out-of-plane migration of Mo atoms …”
Section: Resultsmentioning
confidence: 99%
“…The interbody interactions are modeled using 12−6 Lennard−Jones potential whose parameters are obtained using Lorentz−Berthelot mixing rule. 53 Noose−Hoover thermostat is used to maintain the temperature of the sample and substrate at 300 K while the positions and velocities of atoms are updated every 1 fs. Open source LAMMPS 54 package is utilized for conducting MD simulations and the visualization is performed on OVITO.…”
Section: ■ Materials and Methodsmentioning
confidence: 99%
“…The intrabody interactions in the tip and substrate are modeled using Tersoff and Stillinger Weber potentials respectively, while a reactive potential is utilized to model the interactions in graphene (AIREBO) and MoS 2 (REBO). The interbody interactions are modeled using 12–6 Lennard–Jones potential whose parameters are obtained using Lorentz–Berthelot mixing rule . Noose–Hoover thermostat is used to maintain the temperature of the sample and substrate at 300 K while the positions and velocities of atoms are updated every 1 fs.…”
Section: Methodsmentioning
confidence: 99%
“…[50] The first stage of the theoretical simulation was performed with LAMMPS software [51] and based on the reported Tersoff force field, which was considered to be able to describe the structural evolution of SiO 2 during the melt-quench process to obtain a reliable amorphous SiO 2 structure. [52,53] The NVT ensemble is established by the Langevin thermostat [54] with a simulation time step of 1 fs.…”
Section: Conflict Of Interestmentioning
confidence: 99%