Diffusive motion of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mtext>C</mml:mtext><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on a graphene sheet

Abedpour, N.; Rasuli, Seyyed Nader; Naji, Ali; Ejtehadi, Mohammad Reza

doi:10.1103/physreve.82.051605

Cited by 46 publications

(53 citation statements)

References 33 publications

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“…Notice that in the absence of temperature gradient, when the system is equilibrated at T = 300 K, we found a diffusive motion on the graphene sheet [6]. Figures 5(a,b) show the variation of the total work and the changes in the free energy with time, respectively.…”

Section: Trajectory In the X − Y Planementioning

confidence: 97%

“…C 60 , on a graphene sheet, in the presence of a temperature gradient. We show that the graphene is a good two-dimensional substrate for thermal actuation due to its high thermal conductivity, however as it is expected, in the absence of a thermal gradient, the C 60 molecule randomly diffuses on the graphene sheet [6]. The average velocity along the temperature gradient direction and the free energy change throughout the system are calculated.…”

Section: Introductionmentioning

confidence: 99%

“…The two-dimensional structure of graphene suggests the possibility of motion with just two degrees of freedom. The free energy surface for a particle moving above a graphene sheet explains different motion-related phenomena at nanoscale as well as the various directed motions on the carbon nanotube-based motors [6,7].…”

Section: Introductionmentioning

confidence: 99%

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Directed motion ofC60on a graphene sheet subjected to a temperature gradient

2011

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Nonequilibrium molecular dynamics simulations is used to study the motion of a C60 molecule on a graphene sheet subjected to a temperature gradient. The C60 molecule is actuated and moves along the system while it just randomly dances along the perpendicular direction. Increasing the temperature gradient increases the directed velocity of C60. It is found that the free energy decreases as the C60 molecule moves toward the cold end. The driving mechanism based on the temperature gradient suggests the construction of nanoscale graphene-based motors.

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Section: Trajectory In the X − Y Planementioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

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Directed motion ofC60on a graphene sheet subjected to a temperature gradient

2011

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“…The LJ potential describes both the repulsive and attractive parts of the vdW energy between two atoms which are non-bonded. The LJ potential is a widely used potential in various simulations [11][12][13][14][15][16]. For two interacting uncharged particles, we have…”

Section: Atomistic Modelmentioning

confidence: 99%

Strain-engineered graphene through a nanostructured substrate. I. Deformations

Neek-Amal

Peeters

2012

Phys. Rev. B

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Using atomistic simulations we investigate the morphological properties of graphene deposited on top of a nanostructured substrate. Sinusoidally corrugated surfaces, steps, elongated trenches, one dimensional and cubic barriers, spherical bubbles, Gaussian bump and Gaussian depression are considered as support structures for graphene. The graphene-substrate interaction is governed by van der Waals forces and the profile of the graphene layer is determined by minimizing the energy using molecular dynamics simulations. Based on the obtained optimum configurations, we found that: (i) for graphene placed over sinusoidally corrugated substrates with corrugation wave lengths longer than 2 nm, the graphene sheet follows the substrate pattern while for supported graphene it is always suspended across the peaks of the substrate, (ii) the conformation of graphene to the substrate topography is enhanced when increasing the energy parameter in the van der Waals model, (iii) the adhesion of graphene into the trenches depends on the width of the trench and on graphene's orientation, i.e. in contrast to a small width (3 nm) nanoribbon with armchair edges, the one with zig-zag edges follows the substrate profile, (iv) atomic scale graphene follows a Gaussian bump substrate but not the substrate with a Gaussian depression, and (v) the adhesion energy due to van der Waals interaction varies in the range [0.1-0.4] J/m 2 .

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“…Fullerene-nanotube hybrids termed carbon nanopeapods have been widely investigated [31][32][33]. Quite recently, fullerene-graphene hybrids have been experimentally produced and theoretically investigated [34][35][36][37][38][39]. In particular, nanotube-graphene hybrid also has great potential application [40][41][42][43][44][45][46][47][48].…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

Lee

Kang

Kim

et al. 2016

Journal of the Korean Physical Society

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Graphene/carbon-nanotube (CNT) hybrid material can be useful in energy storage and nanoelectronic technologies. Here we address the CNT-oscillator encapsulated in a graphenenanoribbon (GNR) trench as a novel design, and investigate its properties via classical molecular dynamics simulations. Since the energy barrier was very low while the CNT was encapsulated in the GNR trench, the CNT absorbed on the GNR surface could easily be encapsulated in the GNR trench.MD simulations showed that the CNT oscillator encapsulated in a GNR trench is compatible with simple CNT oscillators, so we anticipate that the CNT in GNR trench could work as an oscillator. So we can anticipate that the CNT encapsulated in a GNR trench can be applied to ultra-sensitive nanoelectromechanical oscillators, and this system has the possibility to be applied to relay-switching devices, and to shuttle memory.

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Diffusive motion ofC60on a graphene sheet

Cited by 46 publications

References 33 publications

Directed motion ofC60on a graphene sheet subjected to a temperature gradient

Directed motion ofC60on a graphene sheet subjected to a temperature gradient

Strain-engineered graphene through a nanostructured substrate. I. Deformations

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

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