A study on nanotube–substrate interaction effect for fullerene-shuttle-memory based on nanopeapod

Byun, Ki Ryang; Kang, Jeong Won; Hwang, Ho Jung

doi:10.1016/j.physe.2005.01.012

Cited by 10 publications

(4 citation statements)

References 38 publications

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“…A weaker stabilization of the latter complex compared to former case may be attributed to the repulsive interactions of ethylene hydrogens with the SWNT. The additional stabilization per C 2 increment, for e.g., E int (21) Ϫ E int (31), is higher for cumulene inside SWNT compared to polyyne (10.2, 4.4 and 5.3 kcal/mol vs. 6.8, 2.6 and 3.7 kcal/mol respectively). The interaction energies for 41 and 51 are higher than those for 81 and 91.…”

Section: Resultsmentioning

confidence: 98%

“…Filling of SWNTs with metals, which aid to generate novel nanomagnets and electromagnetic devices from metallic nanostructures [2,[23][24][25][26], is known to influence their transport properties, magnetism and superconductivity. Encapsulated buckyballs into buckytubes called 'peapods' have been reported experimentally [30] and they are considered to prospective fullerene-shuttle memory devices [31]. It was reported that the electronic properties of peapods are strongly dependent on the physical location of fullerenes along the tube [32,33].…”

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confidence: 99%

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Cumulative π‐π interaction triggers unusually high stabilization of linear hydrocarbons inside the single‐walled carbon nanotube

Dinadayalane

Gorb

Simeon

et al. 2007

Int J of Quantum Chemistry

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ABSTRACT:The interactions of linear hydrocarbons C 2n H 4 and C 2n H 2 (n ϭ 1-4) with a finite-length armchair (5,5) single-walled carbon nanotube have been investigated using HF and MP2 methods in conjunction with 6-31G(d) basis set, and molecular mechanics (MM) with MM2 force field. In all cases, the results obtained at MP2/6-31G(d) level show stabilization of these supramolecular systems, contrary to the repulsive interactions obtained with the HF method. The interaction energies computed using MM with MM2 force field are in close agreement with the results obtained using the MP2/6-31G(d) level. They increase gradually as the length of linear hydrocarbon chain increases. The present study indicates that cumulative -interaction is the origin for the exceptionally high stabilization of the long nanotube-hydrocarbon complexes. Mulliken population analysis reveals a very small charge transfer between the nanotube and the guest. Essentially there is no change in HOMO-LUMO energy gap by the insertion of linear hydrocarbons.

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Section: Resultsmentioning

confidence: 98%

mentioning

confidence: 99%

Cumulative π‐π interaction triggers unusually high stabilization of linear hydrocarbons inside the single‐walled carbon nanotube

Dinadayalane

Gorb

Simeon

et al. 2007

Int J of Quantum Chemistry

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“…35 48-52 Therefore, comparing the C 60 suction in the GNR trench to the C 60 encapsulation in the CNT, the in-and-out of C 60 for the GNR trench is easier than that for the CNT. Such a property gives a great potential for the C 60 /GNR-trench to be implemented in NEMS devices, such as shuttle memory or switches [53][54][55][56][57][58][59][60][61][62][63][64] and oscillators. [65][66][67] Even the interpretation of modern quantum theory seems still to be an open question, 68 in most cases quantum theory is necessary for the description of the organization forms of matter.…”

Section: Resultsmentioning

confidence: 99%

Encapsulation Dynamics of a C<SUB>60</SUB> Buckminsterfullerene Into a Graphene Nanoribbon Trench

Kim¹,

Kang²

2014

Jnl of Comp & Theo Nano

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Graphene nanoribbon (GNR) trench can be applied to media for nanoelectronic devices and the nanospaces in the GNR trench can be considered as a nanocontainer. Since the encapsulation of C 60 in the GNR trench is favorable on energetic grounds and occurs rapidly by exposing GNR trench to sublimed C 60 molecules, the nanospaces in the GNR trench are filled with C 60 molecules. Encapsulated C 60 molecules can be extruded by externally applied force fields. Since the nanospace inside the GNR trench can be refilled when its open surface is exposed to sublimed C 60 molecules, the GNR trench can be permanently used in ideal conditions of no chemical reaction and no mechanical deformation. In this work, we investigated two mechanisms of C 60 encapsulation into the GNR trench via molecular dynamic simulations. The energy barrier of approximately 0.2 eV height was found to exit near the GNR trend edge. This work shows the probability of a nanocontainer based on GRN trench in the nanometer ranges.

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“…These features of the CNT oscillator on gold surface were very similar to the substrate effects for the fullerene-shuttle-memory devices. 81 For the CNT oscillator with a long outer CNT in vapor, the energy was mainly dissipated by the friction force induced by the vibrational breathing modes of the outer CNT during the transitional motion of the CNT oscillator. 23 Thus energy dissipation is greatly influenced on the temperature closely related to breathing of the CNT.…”

Section: Carbon Nanotube Oscillator On Gold Surfacementioning

confidence: 99%

Nanotube Oscillators: Properties and Applications

Kang¹,

Hwang²

2009

Jnl of Comp & Theo Nano

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In this review, we present basic properties and applications of various gigahertz nanotube oscillators based on interwall sliding. These nano-oscillators are dynamically stable and their oscillation frequency can be significantly higher than one gigahertz. We briefly review the dynamics properties of various nanotube oscillators, by means of classical moleuclar dynamics simulations, from double-walled, triple-walled, and multi-walled carbon nanotube oscillators, and single-walled carbon nanotube bundle ocillators to boron-nitride nanotube oscillators and metal nanowire encapsulating carbon nanotube oscillators.

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A study on nanotube–substrate interaction effect for fullerene-shuttle-memory based on nanopeapod

Cited by 10 publications

References 38 publications

Cumulative π‐π interaction triggers unusually high stabilization of linear hydrocarbons inside the single‐walled carbon nanotube

Cumulative π‐π interaction triggers unusually high stabilization of linear hydrocarbons inside the single‐walled carbon nanotube

Encapsulation Dynamics of a C<SUB>60</SUB> Buckminsterfullerene Into a Graphene Nanoribbon Trench

Nanotube Oscillators: Properties and Applications

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