Nanotubes defect structures

Keywords carbon nanotubes, defects and vacancies, geometry and electronic structures, semi-empirical quantum calculations. 

Figure 2. Snapshots of the carbon nanotube atomic structure corresponding to various electric powers IV applied to the nanotube (a) IV= 0, regular structure (b) IV = 15.2 uW, single defect (c) IV = 22.8 gW, with multiple defect (d) W = 28.9 uW, broken nanotube.

Hiura H, Ebbesen T W, Fujita J, Tanigaki K and Takada T, Role of sp defect structures in graphite and carbon nanotube . Nature, 1994 367 148-151. 

The question whieh then arises is What do we call a defect in a nanotube To answer this question, we need to define what would be a perfeet nanotube. Nanotubes are mieroerystals whose properties are mainly defined by the hexagonal network that forms the eentral cylindrical part of the tube. After all, with an aspect ratio (length over diameter) of 100 to 1000, the tip structure will be a small perturbation except near the ends. This is clear from Raman studies[4] and is also the basis for calculations on nanotube proper-ties[5-7]. So, a perfect nanotube would be a cylindrical graphene sheet composed only of hexagons having a minimum of defects at the tips to form a closed seamless structure. 

The yield strengths of defect-free SWNTs may be higher than that measured for Bacon s scroll structures, and measurements on defect-free carbon nanotubes may allow the prediction of the yield strength of a single, defect-free graphene sheet. Also, the yield strengths of MWNTs are subject to the same limitations discussed above with respect to tube slippage. All the discussion here relates to ideal nanotubes real carbon nanotubes may contain faults of various types that will influence their properties and require experimental measurements of their mechanical constants. 

Fig. 3 shows the Raman spectra of the MWNT samples as a flmction of helium pressure. The peaks around 1280 cm", called the D-mode, are Imown to be attributed la amorphous carbons and defects of nanotubes, whereas the pe around 1600 cm", called the G-mode, are known to be due to the graphitic structure of carbon atoms. The G-mode of produced MWNTs was shifted to a lower wave number region (1595 cm" ) by the strain of the forming tube [6]. The intensity of MWNTs synftiesized under 250 Torr was lower than at other pressure. And the ratio of the G-mode to the D-mode was the hi t at pressure of 500 Torr. The highest purity of MWNTs was obtained when the pressure of helium is 500 Torr. 

Muller, J. et al. (2008) Structural defects play a major role in the acute lung toxicity of multiwall carbon nanotubes toxicological aspects. Chemical Research in Toxicology, 21 (9), 1698-1705. 

An important route to solubilization of carbon nanotubes is to functionalize their surface to form groups that are more soluble in the desired solvent environment. It has been shown that acid treatment of nanotube bundles, particularly with HC1 or HNO3 at elevated temperatures, opens up the aggregate structure, reduces nanotube length, and facilitates dispersion (An et al., 2004 Kordas et al., 2006). Nitric acid treatment oxidizes the nanotubes at the defect sites of the outer graphene sheet, especially at the open ends (Hirsch, 2002 Alvaro et al., 2004), and creates carbonyl, carboxyl, and hydroxyl groups, which aid in their solubility in polar solvents. 

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