Bond lengths and diameters of armchair single wall carbon nanotubes

Будыка, М. Ф.; Zyubina, T. S.; Ryabenko, A. G.; Lin, Shi-Hsin; Mebel, Alexander M.

doi:10.1016/j.cplett.2005.03.088

Cited by 105 publications

(85 citation statements)

References 31 publications

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“…Here, r is the atomic bond length in the hexagonal networks, e.g., the C-C bond length r in graphite is ϳ0.142 nm. 21 K is the diffraction camera constant. In other words, for a certain EDP, d…”

Section: Determination Of Helicities In Unidirectional Assemblies Of mentioning

confidence: 99%

Determination of helicities in unidirectional assemblies of graphitic or graphiticlike tubular structures

Jiang

Brown

Nikolaev³

et al. 2008

Applied Physics Letters

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Here we propose a universal method for the determination of all helicities present in unidirectional assemblies of hexagon-based graphitic or graphiticlike tubular structures, e.g., multiwalled or bundled carbon nanotubes (CNTs) or boron-nitride nanotubes and their structural analogs. A critical dimension characteristic of a fundamental structural property, i.e., the atomic bond length, is discerned from electron diffraction patterns by which all helicities present in the assemblies are identified. Using this method, we determine the helicity population in a single-walled CNT sample produced by laser ablation technique.

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Section: Determination Of Helicities In Unidirectional Assemblies Of mentioning

confidence: 99%

Determination of helicities in unidirectional assemblies of graphitic or graphiticlike tubular structures

Jiang

Brown

Nikolaev³

et al. 2008

Applied Physics Letters

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“…The PM3 parameterization gives also correct bond length in graphite [27]. Comparison of different types of semiempirical calculations [28] shows that the PM3 parameterization gives the best accuracy for structure and internal energy of carbon nanostructures.…”

Section: Methodsmentioning

confidence: 99%

Structural phase transition and band gap of uniaxially deformed (6,0) carbon nanotube

Poklonski¹,

Ratkevich²,

Вырко³

et al. 2012

Chemical Physics Letters

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The atomic and band structures of the (6, 0) zigzag carbon nanotube at its axial elongation are calculated by semiempirical molecular orbital and by tight-binding methods. The ground state of the nanotube is found to have a Kekule structure with four types of bonds and difference between lengths of long and short bonds of about 0.005 nm. The structural phase transition is revealed at ≈ 9% elongation, resulting in a quinoid structure with two types of bonds. This structural phase transition is followed by the transition from a narrow gap to moderate gap semiconductor. Validity of the semiempirical PM3 method is discussed.

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“…͑4͒ is able to account for any value of 1,2,3 and t 1,2,3 and as such can account for curvature effects which both distort the lattice vectors about the x axis, 6 and cause hybridization of orbitals, effecting hopping around the circumference but not hopping which is predominantly in the longitudinal direction. 25,26 In a regular armchair CNT, for example, the symmetry of the lattice ensures that we always have t 2 = t 3 and Eq.…”

Section: The Modelmentioning

confidence: 99%

“…Variable bond lengths form naturally in CNT and are particularly noticeable in small radius nanotubes because the large curvature tends to elongate the bonds along the circumference. 6 These differences in bond lengths can be further enhanced by small applied strains.…”

Section: Introductionmentioning

confidence: 99%

Electronic properties of carbon nanotubes with distinct bond lengths

Bunder

Hill

2010

Journal of Applied Physics

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In band structure calculations commonly used to derive the electronic properties of carbon nanotubes it is generally assumed that all bond lengths are equal. However, hexagonal carbon lattices are often irregular and may contain as many as three distinct bond lengths. A regular $(n,m)$ carbon nanotube will be metallic if p=(n-m)/3 for integer p. Here we analytically derive the generalized condition for metallic irregular carbon nanotubes. This condition is particularly relevant to small radius nanotubes and nanotubes experiencing small applied strains. In band structure calculations commonly used to derive the electronic properties of carbon nanotubes, it is generally assumed that all bond lengths are equal. However, hexagonal carbon lattices are often irregular and may contain as many as three distinct bond lengths. A regular ͑n , m͒ carbon nanotube will be metallic if p = ͑n − m͒ / 3 for integer p. Here we analytically derive the generalized condition for metallic irregular carbon nanotubes. This condition is particularly relevant to small radius nanotubes and nanotubes experiencing small applied strains.

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Bond lengths and diameters of armchair single wall carbon nanotubes

Cited by 105 publications

References 31 publications

Determination of helicities in unidirectional assemblies of graphitic or graphiticlike tubular structures

Determination of helicities in unidirectional assemblies of graphitic or graphiticlike tubular structures

Structural phase transition and band gap of uniaxially deformed (6,0) carbon nanotube

Electronic properties of carbon nanotubes with distinct bond lengths

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