Chirality-dependent motion transmission between aligned carbon nanotubes

Wang, Zhao

doi:10.1016/j.carbon.2019.05.051

Cited by 16 publications

(10 citation statements)

References 41 publications

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“…The energetically optimized path (EOP) on a potential energy surface (PES) indicates the most probable trajectory of an adsorbate on a substrate, according to the principle of minimizing energy corrugation. 63,64 i.e., the molecule will be less "tired" following an EOP on the CNT surface than any other trajectories. Figure 4 shows that a benzene molecule exhibits different EOPs on different CNTs.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Chirality-Selective Transport of Benzene Molecules on Carbon Nanotubes

Wang

2020

J. Phys. Chem. C

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Using molecular dynamics simulations, we predict an effect of chirality on the conduction of benzene molecules along the surface of carbon nanotubes (CNTs) subjected to a thermal gradient. The group drift velocity of the molecules is found to be maximal in the case of an armchair CNT, and to decrease with decreasing chiral angle. This chirality effect on thermodiffusion is induced by a variation in the optimized paths of molecules that change with different electronic overlap at the interface. The mechanism for the thermophoretic transport is identified to be coupled with a gradient of adsorbate-substrate interaction energy, which originates from the anharmonic nature of the van der Waals potential.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Chirality-Selective Transport of Benzene Molecules on Carbon Nanotubes

Wang

2020

J. Phys. Chem. C

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“…It involves a many-body bond-torsion term and therefore enables a smooth transition from long-range interaction to chemical bonding. It hence afforded a good description of the structural flexibility and bond formation and breaking in graphene and carbon nanotubes in our previous works [10,20,[33][34][35][36].…”

Section: Methodsmentioning

confidence: 95%

Low-Temperature Friction of Suspended Graphene: Negative friction?

Wang

2019

Preprint

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Using molecular dynamics simulations, we probe a suspended graphene layer by a diamond-likecarbon tip at various temperatures. The force acting on the tip in the sliding direction is measured to be negative at liquid-helium temperature. This negative force is found to be associated with a spontaneous lateral oscillation of the suspended graphene in favor of a low interface potential corrugation. Our hypothesis is that, at low temperature, this oscillation induces an important hidden contribution to the friction force in the lateral direction. This functions as a peculiar energy dissipation mechanism at nanoscale.

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“…In our simulation, the MoS 2 flake slid in discrete steps of 0.001 nm. Its position was spontaneously adjusted at each step by the springs for a nearby local energy minimum [31,44,46]. The friction force F was calculated as the average force acting on the flake against the sliding direction during the last 70% of the simulation steps (in a total sliding distance of 10 nm) [31].…”

Section: Methodsmentioning

confidence: 99%

Superlubricity of molybdenum disulfide subjected to large compressive strains

Meng

Tao

et al. 2021

Friction

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The friction between a molybdenum disulphide (MoS2) nanoflake and a MoS2 substrate was analyzed using a modified Tomlinson model based on atomistic force fields. The calculations performed in the study suggest that large deformations in the substrate can induce a dramatic decrease in the friction between the nanoflake and the substrate to produce the so-called superlubricity. The coefficient of friction decreases by 1–4 orders of magnitude when a high strain exceeding 0.1 is applied. This friction reduction is strongly anisotropic. For example, the reduction is most pronounced in the compressive regime when the nanoflake slides along the zigzag crystalline direction of the substrate. In other sliding directions, the coefficient of friction will reduce to its lowest value either when a high tensile strain is applied along the zigzag direction or when a high compressive strain is applied along the armchair direction. This anisotropy is correlated with the atomic configurations of MoS2.

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Chirality-dependent motion transmission between aligned carbon nanotubes

Cited by 16 publications

References 41 publications

Chirality-Selective Transport of Benzene Molecules on Carbon Nanotubes

Chirality-Selective Transport of Benzene Molecules on Carbon Nanotubes

Low-Temperature Friction of Suspended Graphene: Negative friction?

Superlubricity of molybdenum disulfide subjected to large compressive strains

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