Y-branching of single walled carbon nanotubes

Y-branching was observed by scanning tunnelling microscopy (STM) in single wall carbon nanotubes grown by thermal decomposition of C₆₀ fullerene in the presence of transition metals. These novel carbon nanostructures may play an important role in carbon-based nanoelectronics. Received: 18 November 1999 / Accepted: 20 January 2000 / Published online: 8 March 2000     

Photocurrent in single walled carbon nanotubes

Carbon based nanomaterials have received a lot of attention due to their unique structural and physical properties. In this study, photoresponse in semiconducting single-walled carbon nanotubes is investigated using density functional theory. The photocurrent generated is found to increase with the increasing electrode voltage at a constant flux. In all models the current increases uniformly with applied voltage and maximum value of current is found in the pristine CNT model, however the magnitude of photocurrent decreases in the homogenously nitrogen and boron doped models. Moreover, the photocurrent increases with increase in flux showing photoresistive property in CNTs. The spectral peaks appear at different wavelengths in the three models paving way for wide range of applications in the futuristic optoelectronic devices.     

Chemical functionalization of single walled carbon nanotubes

Chemical modification has been performed on purified single walled carbon nanotubes. XPS spectrum shows that the peak corresponding to C (1s) centered at 284.38 eV in pure nanotubes (graphitic C) is 0.4 eV downshifted in chlorinated sample. Subsequent coupling reactions were carried out with diamine molecules to form intertube connections. Tripropylentetramine and phenylendiamine have been chosen as a molecular linker. End-to-side and end-to-end nanotube interconnections are formed and then observed by atomic force microscopy (AFM). Statistical analysis made from AFM images shows around 30% junctions in functionalized and less than 2% in pristine material. Remarkable features can be observed in the Raman spectra at different functionalization steps. Simple conductance measurements on bucky papers prepared from prestine nanotubes and from nanotubes modified at various steps have been made and are discussed.     

Size effect on doped single walled carbon nanotubes

Considering impurity doping in small sized carbon nanotubes of diameter around 0.4 nm, we have calculated the donor binding energy by increasing the dopant concentration through a screening function that includes the curvature effect. We could observe the sudden fall in donor binding energy and metallic behaviour of the smaller single walled carbon nanotubes around 10¹¹/cm² (0.0026%) of impurity concentration. This result is useful for nano electronic device application such as nano diodes and switches.     

Packing of linearly arranged benzene molecules inside single walled carbon nanotubes: The high pressure study

The high pressure behaviors and electronic properties of (C₆H₆)_n@SWCNT peapod structure with the different encapsulation densities are studied by the DFT calculation. The weak van der Waals interaction and electronic orbital hybridization interaction between the host and guest molecules are exhibited in the pressure lower and higher than 3 GPa, respectively. The encapsulation density of C₆H₆ molecules plays an important role in the structural deformation, the bonding behaviors, and the electronic orbital hybridization interaction of the considered four hybrid systems under the pressures.     

Electronic properties of alkali-metal intercalated single walled carbon nanotubes

We present a comparative study of the electronic properties of sodium and lithium intercalated single walled carbon nanotubes in a bucky paper sample by electron energy loss spectroscopy and photoemission spectroscopy. We have found that at room temperature both sodium and lithium rapidly diffuse into the bulk of the sample while different magnitudes of charge transfer from Na and Li to the nanotube bundles have been observed. The maximum observed displacement of the Fermi level is almost the same for both alkali although Na and Li induce quite different changes in the carbon nanotube electronic structure. We interpret our results as a more covalent character of the Li-carbon nanotube interaction with respect to the ionic character of the Na-carbon nanotube interaction; the localization of the charge density along the Li-C bond is responsible for an intertube interaction within the carbon nanotube ropes.     

Density and thermodynamics of hydrogen adsorbed inside narrow carbon nanotubes

A model is proposed for calculating the thermodynamic functions and the equilibrium density of a one-dimensional chain of molecules (atoms) adsorbed inside a narrow nanotube. The model considers both the interaction between introduced atoms (molecules) and their interaction with the nanotube walls. The quantum-mechanical effects resulting in discrete energy levels of a particle and in its smeared position between neighbors are taken into account. In calculating the free energy at a nonzero temperature, the phonon contribution and the particle transitions to excited levels are considered. The model is applied to calculate the thermodynamic parameters of adsorbed hydrogen molecules inside extremely narrow single-wall carbon nanotubes of the (3,3) and (6,0) type. It is shown that external pressure gives rise to a sequence of first-order phase transitions, which change the density of adsorbed hydrogen molecules.     

不同激发波长下单壁碳纳米管与多壁碳纳米管的拉曼光谱比较

对不同激发波长下单壁和多壁碳纳米管的激光拉曼光谱进行了比较。发现单壁碳纳米管D峰强度和G峰强度的比值(ID/IG)几乎不随激发光子能量的改变而变化,多壁碳纳米管ID/IG值随着激发光子能量的增加以斜率0 3/eV减小。并对此现象进行了初步的分析。此外,还发现在1064nm激发波长下,单壁和多壁碳纳米管2500-3500cm-1之间拉曼峰的相对强度随着入射激光功率的增加而增加。     

微孔对单壁纳米碳管储氢性能的影响

用巨正则蒙特卡罗分子模拟方法研究了单壁纳米碳管中的微孔即单壁纳米碳管基本孔-内管腔和管间孔对单壁纳米碳管储氢性能的影响.与低温下氮气吸附实验结果的比较发现单壁纳米碳管的内管腔是吸附的主要位置.分析单壁纳米碳管内管腔中吸附势的叠加和利用效率，发现管径为2nm左右时单壁纳米碳管内管腔的储氢容量最高.当单壁纳米碳管阵列的管间距增加时，单壁纳米碳管的管间孔也会成为有效的氢吸附位. 关键词： Monte Carlo方法 单壁纳米碳管 储氢 微孔     

Stable single helical C-and I-chains inside single-walled carbon nanotubes

The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes(SWCNTs)is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.     

Influence of oligonucleotide interaction on electronic properties of single walled carbon nanotubes

Raman spectroscopy is a powerful tool to study molecular systems. The influence of the non‐covalent interactions of two different lengths of oligonucleotides, 10‐base and 25‐base, composed of polyA, polyT, polyG and polyC, on the electronic structure of single‐walled carbon nanotubes (SWCNTs) is first studied by means of Raman spectroscopy. Then, the possible changes in their electronic structure with chemical attachment of the oligonucleotides are investigated. The Raman data indicates that polyA with 10‐base wraps the SWCNTs at increased incubation time, while polyA with 25‐base wraps quickly, but increasing the incubation time reduces the efficient wrapping, possibly due to the self‐stacking. The polyT‐10 does not wrap around the SWCNTs very effectively even at increased incubation times, but the polyT‐25 wraps them effectively in 30 mins, but increasing the time again decreases the wrapping significantly. While polyG shows similar pattern to the case for the polyA, the polyC shows much higher affinity for the SWCNTs under all studied conditions. The chemical attachment of the same oligonucleotides does not alter the electronic properties of the SWCNTs significantly. These results suggest that oligonucleotides can be used to bring the SWCNTs into higher structures through DNA hybridization without significantly altering their unique properties. Copyright © 2012 John Wiley & Sons, Ltd.     

An efficient route towards the covalent functionalization of single walled carbon nanotubes

A simple and efficient method of chemical functionalization of both single and multiwalled carbon nanotubes has been discussed to give enhanced water solubility by rapidly and efficiently generating an appreciable amount of hydrophilic functional groups using microwave radiation. Surface functionalization containing more than 30 wt% of oxygen has been achieved, resulting into solubility of 2–5 mg/mL. Further covalent functionalization of such soluble SWNTs provides a remarkable degree of aniline functionalization through amidation, where the formation of polyaniline has been avoided. Functionalization of SWNTs is confirmed by techniques like electron microscopy, Fourier transform infrared spectroscopy, thermogravimetry, Raman spectroscopy, cyclic voltammetry and impedance spectroscopy. Electrochemical analysis suggests an enhanced double layer capacitance (110 F/g) of nanotubes after microwave treatment. Aniline functionalization of SWNTs shows possible variations on the nanotube topography with concomitant formation of a dynamic polymer layer on the nanotube surface.     

Cutting of multi walled carbon nanotubes

Multi walled carbon nanotubes (MCNT) synthesized by CVD method have been successfully cut into different lengths by controlling H₂SO₄/HNO₃ (5:3) oxidation time. During the cutting process H₂SO₄ and HNO₃ were added independently and the oxidation processes were carried out at a lower temperature to void excess weight loss and damage to MCNT. The resulting shorted MCNT (s-MCNT) formed stable dispersion state in the polar solvents without the help of surfactants that provided possibility for further functionalization and application. Moreover, NaOH solution was used to determine the total percentage of acidic sites and the total percentage of acidic sites are about 0.2-1%.     

Encapsulation of lamivudine into single walled carbon nanotubes: A vdW-DF study

To explore a suitable carrier for lamivudine drug, the incorporation of lamivudine inside the single walled carbon nanotubes (SWCNTs) has been investigated by using first-principles van der Waals density functional (vdW-DF) calculations. The obtained binding energies reveal that lamivudine prefers to be encapsulated into the metallic nanotubes with diameter of about 13 Å. Semiconducting SWCNTs exhibit slightly weaker interaction strength with the lamivudine in comparison with the metallic counterparts. However, the calculated binding energies for both considered nanotubes are typical for the physisorption. The influence of nanotube length on the lamivudine incorporation inside the various considered nanotubes has also been investigated and the results show that it plays an important role in the encapsulation process. The electronic structures analysis for the energetically most favorable complexes reveal that incorporated lamivudine changes slightly the electronic properties of SWCNTs. This indicates that there is no considerable hybridization between the corresponding orbitals and the weak interaction obtained quantitatively in terms of binding energies.     

Large magnetic moment at sheared ends of single-walled carbon nanotubes

In this work we report that after single-walled carbon nanotubes(SWNTs) are sheared with a pair of titanium scissors,the magnetization becomes larger than that of the corresponding pristine ones. The magnetization increases proportionally with the number of SWNTs with sheared ends, suggesting that there exist magnetic moments at the sheared ends of SWNTs.By using the coefficient of this linear relation, the average magnetic moment is estimated to be 41.5 ± 9.8 μB(Bohr magneton) per carbon atom in the edge state at temperature of 300.0 K, suggesting that ultrahigh magnetic fields can be produced. The dangling sigma and pi bonds of the carbon atoms at sheared ends play important roles in determining the unexpectedly high magnetic moments, which may have great potential applications.     

Giant magnetic moment at open ends of multiwalled carbon nanotubes

The attractions of cantilevers made of multiwalled carbon nanotubes(MWNTs)and secured on one end are studied in the non-uniform magnetic field of a permanent magnet.Under an optical microscope,the positions and the corresponding deflections of the original cantilevers(with iron catalytic nanoparticles at the free end)and corresponding cut-off cantilevers(the free ends consisting of open ends of MWNTs)are studied.Both kinds of CNT cantilevers are found to be attracted by the magnet,and the point of application of force is proven to be at the tip of the cantilever.By measuring and comparing deflections between these two kinds of cantilevers,the magnetic moment at the open ends of the CNTs can be quantified.Due to the unexpectedly high value of the magnetic moment at the open ends of carbon nanotubes,it is called giant magnetic moment,and its possible mechanisms are proposed and discussed.     

Resonant Raman excitation profiles of individually dispersed single walled carbon nanotubes in solution

Raman excitation profiles were generated between 695 and 985 nm for individual carbon nanotubes dispersed in aqueous solution. We confirmed that previously published spectral assignments for semi-conducting and metallic carbon nanotubes are able to predict the location and resonant maxima of radial breathing mode features in the Raman spectrum. Three large diameter features were observed within the excitation space over the scan range and accurately predicted as metallic species. There was significant agreement between predicted and observed Raman modes. However, one discrepancy is noted with the (6,4) nanotubes. This species is not observed when excited at or near its absorption transition. We find that the Raman cross-sections in general, assuming a diameter-based distribution of nanotubes, are disproportionately smaller for mod(n-m,3)=1 semi-conducting nanotubes than their counterparts by at least an order of magnitude. These results have important implications for the use of Raman spectroscopy to effectively characterize the chirality distribution of carbon nanotube samples. PACS 61.46.+w; 73.22.-f; 78.30.-j     

Dynamic mechanical analysis of single walled carbon nanotubes/polymethyl methacrylate nanocomposite films

Dynamic mechanical properties of nanocomposite films with different ratios of single walled carbon nanotubes/polymethyl methacrylate(SWCNTs/PMMA) are studied. Nanocomposite films of different ratios(0, 0.5, 1.0, and2.0 weight percent(wt%)) of SWCNTs/PMMA are fabricated by using a casting technique. The morphological and structural properties of both SWCNT powder and SWCNTs/PMMA nanocomposite films are investigated by using a high resolution transmission electron microscope and x-ray diffractometer respectively. The mechanical properties including the storage modulus, loss modulus, loss factor(tan δ) and stiffness of the nanocomposite film as a function of temperature are recorded by using a dynamic mechanical analyzer at a frequency of 1 Hz. Compared with pure PMMA film, the nanocomposite films with different ratios of SWCNTs/PMMA are observed to have enhanced storage moduli, loss moduli and high stiffness, each of which is a function of temperature. The intensity of the tan δ peak for pure PMMA film is larger than those of the nanocomposite films. The glass transition temperature(T g) of SWCNTs/PMMA nanocomposite film shifts towards the higher temperature side with respect to pure PMMA film from 91.2?C to 99.5?C as the ratio of SWCNTs/PMMA increases from 0 to 2.0 wt%.     

Probing structural integrity of single walled carbon nanotubes by dynamic and static compression

We report on a first study of single walled carbon nanotubes (SWCNTs) after application of dynamic (shock) compression. The experiments were conducted at 19 GPa and 36 GPa in a recovery assembly. For comparison, an experiment at a static pressure of 36 GPa was performed on the material from the same batch in a diamond anvil cell (DAC). After the high pressure treatment the samples were characterized by Raman spectroscopy and transmission electron microscopy (TEM). After exposure to 19 GPa of shock compression the CNT material exhibited substantial structural damage such as CNT wall disruption, opening of the tube along its axis (“unzipping”) and tube shortening (“cutting”). Dynamic compression to 36 GPa resulted in essentially complete CNT destruction whereas at least a fraction of the nanotubes was recovered after 36 GPa of static compression though severely damaged. The results of these shock wave experiments underline the prospect of using SWCNTs as reinforcing units in material WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)