Numerical Generation of Nanotube Caps

Astakhova, T. Yu.; Buzulukova, N.; Виноградов, Г. А.; sawa, Eiji

doi:10.1080/10641229909350281

Cited by 12 publications

(17 citation statements)

References 7 publications

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“…They are composed of six pentagons and a number hexagons. 10,11,12 The six pentagons are necessary by Euler's theorem of closed polyhedra to introduce the necessary Gaussian curvature. 6,19,20,21 There are three methods to represent carbon caps on a flat plane: flattening the cap onto a hexagonal lattice 22 , unwrapping a half tube with the cap attached to it 10 , and a network representation based on graph theory 11 .…”

Section: Cap Constructionmentioning

confidence: 99%

“…6,19,20,21 There are three methods to represent carbon caps on a flat plane: flattening the cap onto a hexagonal lattice 22 , unwrapping a half tube with the cap attached to it 10 , and a network representation based on graph theory 11 . We use the flattening method originally suggested by Yoshida and Osawa 22 , see also Astakhova et al 12 . We found that this method best highlights the pattern of six hexagons and its correlation to the nanotube chiral vector.…”

Section: Cap Constructionmentioning

confidence: 99%

“…The light grey (orange) hexagons indicate the positions of the pentagons on the hexagonal graphene lattice. The dark shaded areas are cut and the black lines joined to form a half-spherical structure, 12 see Fig. 1(b).…”

Section: Cap Constructionmentioning

confidence: 99%

“…This is the reason why nanotube caps almost disappeared from the literature, after a number of studies on this subject in the earlier nanotube literature. 10,11,12 Recently, however, the attention turned back to nanotube caps in efforts to understand the growth of carbon nanotubes. Single-walled tubes nucleate on a catalyst particle and then normally grow by adding carbon atoms to the base (root growth mechanism).…”

Section: Introductionmentioning

confidence: 99%

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Structure and formation energy of carbon nanotube caps

2005

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We present a detailed study of the geometry, structure and energetics of carbon nanotube caps. We show that the structure of a cap uniquely determines the chirality of the nanotube that can be attached to it. The structure of the cap is specified in a geometrical way by defining the position of six pentagons on a hexagonal lattice. Moving one (or more) pentagons systematically creates caps for other nanotube chiralities. For the example of the (10,0) tube we study the formation energy of different nanotube caps using ab-initio calculations. The caps with isolated pentagons have an average formation energy 0.29+/-0.01eV/atom. A pair of adjacent pentagons requires a much larger formation energy of 1.5eV. We show that the formation energy of adjacent pentagon pairs explains the diameter distribution in small-diameter nanotube samples grown by chemical vapor deposition.Comment: 8 pages, 8 figures (gray scale only due to space); submitted to Phys. Rev.

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Section: Cap Constructionmentioning

confidence: 99%

Section: Cap Constructionmentioning

confidence: 99%

Section: Cap Constructionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Structure and formation energy of carbon nanotube caps

2005

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“…These include, for instance, nanotubebased tori, 9 helical nanotubes, 10 nanocones, 11,12 nanohorns, 13 nanotube junctions, 14,15 and of course nanotube caps with different types of symmetries. 16 In this paper, we examine theoretically the structural, electronic, and transport properties of a nanotube taper. A nanotube taper is made up of series of straight nanotube sections with decreasing diameter, joined together via topological defects, and eventually terminated with a cap.…”

Section: Introductionmentioning

confidence: 99%

Structural and electronic properties of carbon nanotube tapers

et al. 2001

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Carbon nanotube tapers are a set of nanostructures comprised of straight tubular sections with decreasing diameters, joined to each other via conical funnels and terminated with a hemispherical cap. The funnels are formed with the help of topological defects, which minimally include at least one pentagon-heptagon pair. The structural, electronic, and transport properties of tapers are analyzed using realistic tight-binding models. Specifically, it is shown that straight nanotube tapers are monochiral objects. Among a variety of possible taper structures, kinetics of the growth process suggests that the most prevalent tapers will have either zigzag or armchair structures. Their scanning tunneling microscopy ͑STM͒ images have been simulated for identification purposes. The STM images of tapers are dominated by a protruding pentagon inherent in the taper structure, which unfortunately does not allow for an easy identification of the chirality of the underlying nanotubes. Turning to transport properties, it is shown that zigzag-based tapers will likely be poor conductors, because of gaps induced by the semiconducting segments. Armchair-based tapers, on the other hand, are characterized by a finite conductance at low bias voltages and make attractive prototypes for nanoscale probes and devices.

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Field Emission from Single‐Wall Nanotubes

Dean

2010

Carbon Nanotube and Related Field Emitters

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Numerical Generation of Nanotube Caps

Cited by 12 publications

References 7 publications

Structure and formation energy of carbon nanotube caps

Structure and formation energy of carbon nanotube caps

Structural and electronic properties of carbon nanotube tapers

Field Emission from Single‐Wall Nanotubes

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