Symmetry,phonons and rigid-layers modes in commensurate double wall carbon nanotubes

For translationally periodic double-wall carbon nanotubes stable configurations and full symmetry groups are determined. Using this, the phonon dispersions and eigenvectors are calculated and assigned by the complete set of conserved quantum numbers. In particular, the modes corresponding to the relative coaxial motions of the rigid layers are studied in the context of low inter-wall interaction.Received: 19 June 2003, Published online: 9 September 2003PACS: 63.22.+m Phonons or vibrational states in low-dimensional structures and nanoscale materials - 61.46.+w Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals - 78.30.Na Fullerenes and related materials     

Exciton-phonon coupling strength in single wall carbon nanotubes

The coupling strength of the exciton and different phonons, including the radial breathing mode (RBM), longitudinal (LO) and transverse (TO) optical phonons, are calculated for different diameter single wall carbon nanotubes (SWNTs) in the framework of tight-binding model. It is found that the exciton-phonon coupling strength with the LO mode or RBM shows a clear (2n+m)-family behavior due to the trigonal warping effect, but it with the TO mode remains to be zero. In the same SWNT, the E₂₂ exciton-phonon coupling strength is found to be slightly smaller than that of E₁₁ exciton. Finally, the exciton-RBM-phonon coupling strengths for several SWNTs are found to be in good agreement with the recent experimental data [Phys. Rev. Lett. 98, 037405 (2007)].     

Nitrogen ion implantation in single wall carbon nanotubes

We report an X-ray photoemission and electron energy loss study on 3 keV ion implantation in single wall carbon nanotubes. Our results show that nitrogen atoms can bind to carbon in tetrahedral sp³, defects related pyridine-like, and triangular sp² configurations and such bondings are stable for annealing up to 650 K. Heating at higher temperatures results in preferential substitutional nitrogen doping. This technique opens a new channel for controlled doping in carbon nanotubes for device applications.     

Thermal conductance for single wall carbon nanotubes

We report a theoretical analysis of the phonon thermal conductance, κ(T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100 K, κ(T) of perfect SWCN is found to increase with temperature, approximately, in a parabolic fashion. This is qualitatively consistent with recent experimental measurements where the tube-tube interactions are negligibly weak. When the carbon-carbon bond length is slightly varied, κ(T) is found to be qualitatively unaltered which implies that the anharmonic effect does not change the qualitative behavior of κ(T). Received 12 June 2001     

单壁碳纳米管环离散谱和连续谱间的转变

考虑卷曲效应，构造了扶手形单壁碳纳米管环的单Π轨道紧束缚模型.利用波函数分解方法导出了原子间相互作用矩阵元，由此研究了扶手形碳纳米管环的电子性质.随环半径改变，观察到电子结构发生从离散谱到连续谱之间的转变.计算也表明随管半径改变，其能谱也有类似的变化. 关键词： 碳纳米管环 卷曲效应 电子结构     

Hydrogen adsorption on N-decorated single wall carbon nanotubes

Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of −80 meV/(H₂). Nitrogen coverage was C₈N.     

Optical properties of single wall carbon nanotubes dispersed in biopolymers

In this paper we report the optical studies of single wall carbon nanotubes dispersed in biomaterials. We have obtained very stable suspensions of SWNTs, which allowed us to get good photoluminescence signal from the individually dispersed nanotubes. These new hybrid systems may find some applications in bionanocomposites with photoluminescence properties and in biosensors. Furthermore, the dispersion of carbon nanotubes in these biocompatible materials is important for evaluating the toxicity of either isolated or lightly bundled single wall carbon nanotubes.     

Nucleation of single wall carbon nanotubes of various chiralities

A simple model for the nucleation and growth of single wall carbon nanotubes from a graphene sheet at the surface of a metallic catalyst saturated in carbon is developed. It enables to predict the geometry and energy of tube embryos of all possible chiralities, as well as the way that they can grow. It is shown that armchair-like chiralities are energy preferred for geometrical reasons. This result is discussed and compared to experimental literature.     

Microwave absorbing properties of hydrogen plasma in single wall carbon nanotubes

The complex permittivity of hydrogen plasma in single wall carbon nanotubes (SWNTs), which were grown by iron-catalyzed high-pressure disproportionation (HiPco), is deduced using double-fluid theory and phenomenological model. We calculate the absorptional attenuations of microwave in HiPco SWNTs in the range of 300 MHz–30 GHz under different conditions. The experimental phenomenon of strong microwave absorption (around 2.45 GHz) by hydrogen plasma in HiPco SWNTs can be explained numerically. The influences of the liberal electron density and electronic effective collision frequency on microwave absorption are presented theoretically.     

Electrophoresis and orientation of multiple wall carbon nanotubes in polymer solution

This paper contains an in-depth analysis of the electrophoresis of multi-wall carbon nanotubes (MWNTs) in liquid epoxy where electrophoresis experiments under DC and AC fields were carried out for five different types of multi-wall carbon nanotubes (MWNTs). DC electrophoresis and particle image velocimetry were used to determine the electrophoretic particle mobility and zeta potential, where the MWNTs with the largest outer diameter and length led to the highest mobility values. The orientation and agglomeration of MWNTs into “striation” lines under AC electrophoresis were investigated by analysing the hue, saturation and intensity of the transmitted polarised light under microscope, following a schedule of step-wise applied voltage in the range of 0 to 100 V. Plots of hue and saturation as a function of the applied voltage were used to assess the degree of orientation and density of orientated MWNT structures, respectively, and to determine an optimum AC electric field value for the orientation of a specific MWNT type by electrophoresis.     

Control of one-dimensional transport in multi-wall carbon nanotubes by wall destruction

We have investigated the damage in multi-wall carbon nanotubes (MWNTs) destroyed by electrical breakdown and focused ion beam bombardment (FIBB). The transport properties of a MWNT destroyed by electrical breakdown have been compared with those of a MWNT destroyed by FIBB. Also the Tomonaga–Luttinger transport (TLT) model has been applied to each type of destroyed MWNT. The MWNT destroyed by FIBB showed TLT behavior because of the weak destruction of the remaining walls. However, in the case of MWNTs destroyed by electrical breakdown, three-dimensional variable-range hopping (VRH) was observed in the low temperature transport. This suggests that the local damage has been caused by strong breakdown. There exists a clear difference between the effects of electrical breakdown and FIBB. Wall destruction by FIBB could be applied to control the one-dimensional transport of MWNTs.     

Phonon and thermal properties of achiral single wall carbon nanotubes

A detailed theoretical study of the phonon and thermal properties of achiral single wall carbon nanotubes has been carried out using force constant model considering up to third nearest-neighbor interactions. We have calculated the phonon dispersions, density of states, radial breathing modes (RBM) and the specific heats for various zigzag and armchair nanotubes, with radii ranging from 2.8 Å to 11.0 Å. A comparative study of phonon spectrum with measured Raman data reveals that the number of Raman active modes for a tube does not depend on the number of atoms present in the unit cell but on its chirality. Calculated phonon modes at the zone center more or less accurately predicted the Raman active modes. The radial breathing mode is of particular interest as for a specific radius of a nanotube it is found to be independent of its chirality. We have also calculated the variation of RBM and G-band modes for tubes of different radii. RBM shows an inverse dependence on the radius of the tube. Finally, the values of specific heat are calculated for various nanotubes at room temperature and it was found that the specific heat shows an exponential dependence on the diameter of the tube.     

Wave propagation in double walled carbon nanotubes by using doublet mechanics theory

Flexural and axial wave propagation in double walled carbon nanotubes embedded in an elastic medium and axial wave propagation in single walled carbon nanotubes are investigated. A length scale dependent theory which is called doublet mechanics is used in the analysis. Governing equations are obtained by using Hamilton principle. Doublet mechanics results are compared with classical elasticity and other size dependent continuum theories such as strain gradient theory, nonlocal theory and lattice dynamics. In addition, experimental wave frequencies of graphite are compared with the doublet mechanics theory. It is obtained that doublet mechanics gives accurate results for flexural and axial wave propagation in nanotubes. Thus, doublet mechanics can be used for the design of electro-mechanical nano-devices such as nanomotors, nanosensors and oscillators.     

Pressure variation of Luttinger liquid parameters in single wall carbon nanotubes networks

We measure electrical transport on networks of single wall nanotube of different origin as a function of temperature T, voltage V and pressure P. We observe Luttinger liquid (LL) behavior, a conductance ∝T^α and a dynamic conductance ∝V^α. We observe a sample dependent P variation of the α parameters, interpreted as Fermi level changes due to pressure induced charge transfer. We show how, through standard four-leads and crossed configuration methods, it is possible to determine α_bulk and α_end, respectively. We study and discuss the pressure and doping level dependences of the number of channels N, the LL parameter g and the intra-rope tube-tube coupling constant U within a phenomenological model.     

Electric double layer capacitance of multi-walled carbon nanotubes and B-doping effect

The double layer capacitance properties of multi-walled carbon nanotubes (MWCNTs) prepared by CVD were investigated using propylene carbonate electrolytes. The original MWCNTsare typically entangled tubes with 10∼20 nm outer diameter, around 5 nm inner diameter, and around 220 m² g^-1 of BET specific surface area. The galvanostatic measurement (40 mA g^-1, 2∼4 V vs. Li/Li⁺) in a three-electrode system showed 15 F g^-1 of gravimetric capacitance and a good rate of this property. Due to the tips opening by thermal oxidation, the specific surface area and the capacitance increased. In contrast, heat-treatment at 3000 °C decreased the surface area and the capacitance of the MWCNT due to defect recovery. A small amount (<1 at. %) of boron was doped to the MWCNT by heat-treatment at 2200 °C or 2300 °C with a B-contained graphite crucible. The B-doping can improve the specific capacitance per surface area for the MWCNTswhile maintaining the tube morphology. This effect of B-doping on the capacitance can be explained by modification of the space charge layer in carbon. PACS 81.07.De; 81.65.Mq; 82.47.Uv; 61.72.Vv     

Adsorption of hydrogen on normal and pentaheptite single wall carbon nanotubes

Density functional calculations of the physisorption of molecular hydrogen and the dissociative atomic chemisorption on the external surface of hexagonal and pentaheptite carbon nanotubes, have been carried out. Physisorption binding energies are near 100 meV/molecule and are similar on metallic and semiconducting nanotubes. Full coverage of the nanotube with one molecule per graphitic hexagon decreases the binding energy per molecule. Chemisorption binding energies per H atom are larger on pentaheptites than on hexagonal carbon nanotubes. The molecular physisorption and dissociative chemisorption states on pentaheptites have very similar total energies (some chemisorbed states are even slightly more stable than the physisorbed states), while on hexagonal carbon nanotubes molecular physisorption is more stable than dissociative chemisorption. However, a substantial energy barrier has to be overcome to go from physisorption to dissociative chemisorption in both types of nanotubes.     

First principles study of work functions of single wall carbon nanotubes

We perform first principles calculations on work functions of single wall carbon nanotubes, which can be divided into two classes according to tube diameter (D). For class I tubes (D > 1 nm), work functions lie within a narrow distribution (approximately 0.1 eV) and show no significant chirality or diameter dependence. For class II tubes (D < 1 nm), work functions show substantial changes, with armchair tubes decreasing monotonically with diameter, while zigzag tubes show the opposite trend. Surface dipoles and hybridization effects are shown to be responsible for the observed work function change.     

Effects of initial compression stress on wave propagation in carbon nanotubes

An analytical method to investigate wave propagation in single- and double- walled carbon nanotubes under initial compression stress is presented. The nanotube structures are treated within the multilayer thin shell approximation with the elastic properties taken to be those of the graphene sheet. The governing equations are derived based on Flügge equations of motion. Frequency equations of wave propagation in single and double wall carbon nanotubes are described through the effects of initial compression stress and van der Waals force. To show the effects of Initial compression stress on the wave propagation in nanotubes, the symmetrical mode can be analyzed based on the present elastic continuum model. It is shown that the wave speed are sensitive to the compression stress especially for the lower frequencies.     

Analysis of the concentration of C60 fullerenes in single wall carbon nanotubes

Single wall carbon nanotubes filled with C₆₀ were analyzed using resonance Raman scattering and electron energy loss spectroscopy. In order to obtain concentrations of the fullerene molecules inside the tubes, the scattering intensity from the fullerenes relative to that from the tubes was used. Since the scattering intensity from the tubes is subject to strong fluctuations, the determination of the concentrations is shown to require averaging of results from different lasers and from all observable Raman lines. The fluctuations are shown to be intrinsic and a consequence of photoselective resonance scattering. Calibration of absolute concentrations can be obtained from electron energy loss spectroscopy performed on the same samples. Samples with three different diameters were analyzed and good agreement between the fullerene concentrations measured by the two methods was obtained. Received: 20 September 2002 / Accepted: 4 November 2002 / Published online: 10 March 2003 RID="*" ID="*"Corresponding author. Fax: +43-1/4277-51375, E-mail: kuzman@ap.univie.ac.at