Carbon Nanocoils: Structure and Stability

Popović, Zoran P.; Damnjanović, Milan; Milošević, Ivana

doi:10.7251/com1201051p

Cited by 4 publications

(5 citation statements)

References 5 publications

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“…While approximation of deformation potential obtained only using Γ point phonons is insufficient to describe all relevant transitions. Determination of electron-phonon matrix elements is done in extended tight binding scheme, using atomic deformation potentials for sp 3 hybridization. Values of atomic deformation potential are obtained from density functional theory [11], and their using is completely described in [7].…”

Section: Electron-phonon Interaction and Boltzmann Transport Equationmentioning

confidence: 99%

“…Afterwards rest of the model is generated by action of the screw axis elements: rotation followed by fractional translation. Arrangement of the monomer of HCCNT with pentagons, hexagons and heptagons is written with (n 6 , nr, n 7 , n 5 , (b 1 , b 2 )) and have been detailed explaned in [2,3]. First four numbers in label of helical nanotube model (n 6 , n r , n 7 , n 5 ) are parameters of the graph plane, which is fundamental for construction of model and define numbers of atoms in monomer as well as contribution of specific polygons.…”

Section: Introduction and Model Of Hccntmentioning

confidence: 99%

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Prediction of Electron Drift Velocity in Helically Coiled Carbon Nanotubes

Popović

Vuković

Nikolić

et al. 2016

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We studied electron transport in single wall carbon nanotubes placed in stationary homogeneous electric fields, oriented along tubes. Electron distributions for various electric fields are determined by solving stationary multi bands Boltzmann transport equation in presence of electron phonon scattering mechanisms. Contributions of all possible scattering channels, allowed by selection rules and energy conservation, are taken into account for finding scattering rate and collision integrals. As it is previously predicted, large electron drift velocities in straight single wall carbon nanotubes are obtained. Frequent electron scattering as well as low group velocity have strong impact on reduction of drift velocity in helically coiled carbon nanotubes.

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Section: Electron-phonon Interaction and Boltzmann Transport Equationmentioning

confidence: 99%

Section: Introduction and Model Of Hccntmentioning

confidence: 99%

Prediction of Electron Drift Velocity in Helically Coiled Carbon Nanotubes

Popović

Vuković

Nikolić

et al. 2016

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“…In our calculations we use the model of helically coiled carbon nanotubes [2,3], obtained from topological coordinate method based on graph theory [4].…”

Section: Modelmentioning

confidence: 99%

Thermal Conductance of Helically Coiled Carbon Nanotubes

Popović

Damnjanović

Milošević

2014

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Thermal conductivity is one of the most interesting physical properties of carbon nanotubes. This quantity has been extensively explored experimentally and theoretically using different approaches like: molecular dynamics simulation, Boltzmann-Peierls phonon transport equation, modified wave-vector model etc. Results of these investigations are of great interest and show that carbon- based materials, graphene and nanotubes in particular, show high values of thermal conductivity. Thus, carbon nanotubes are a good candidate for the future applications as thermal interface materials. In this paper we present the results of thermal conductance s of a model of helically coiled carbon nanotubes (HCCNTs), obtained from phonon dispersion relations. Calculation of s of HCCNTs is based on the Landauer theory where phonon relaxation rate is obtained by simple Klemens-like model.

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“…In CNC structure, the pentagons provide positive Gaussian curvature while the heptagons provide negative Gaussian curvature. 2,3 These non-hexagonal carbon rings may cause different properties from those of CNTs. For example, the electronic properties of CNCs have been shown to be significantly changed from those of CNTs.…”

Section: Introductionmentioning

confidence: 99%

Elastic behavior of carbon nanocoils: A molecular dynamics study

Zaeri

Ziaei-Rad

2015

AIP Advances

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Elastic behavior of carbon nanocoils is investigated through molecular dynamics simulations. In particular, spring constants of various nanocoils are derived. To do so, first a geometric model is prepared with the aid of finite element mesh generator. Then applying AIREBO potential, the model is simulated under tensile loading. Using the obtained deformation data, the spring constant is calculated. In order to study the effect of structural parameters, change of elastic properties with helix diameter as well as tube diameter is examined. The results are compared to those obtained via other methods reported in literature.

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Carbon Nanocoils: Structure and Stability

Cited by 4 publications

References 5 publications

Prediction of Electron Drift Velocity in Helically Coiled Carbon Nanotubes

Prediction of Electron Drift Velocity in Helically Coiled Carbon Nanotubes

Thermal Conductance of Helically Coiled Carbon Nanotubes

Elastic behavior of carbon nanocoils: A molecular dynamics study

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