Unusual high degree of unperturbed environment in the interior of single-wall carbon nanotubes

Double wall carbon nanotubes were prepared by vacuum annealing of single wall carbon nanotubes filled with C60. Strong evidence is provided for a highly defect free and unperturbed environment in the interior of the tubes. This is concluded from unusual narrow Raman lines for the radial breathing mode of the inner tubes. Lorentzian linewidths scale down to 0.35 cm(-1) which is almost 10 times smaller than linewidths reported so far for this mode. A splitting is observed for the majority of the Raman lines. It is considered to originate from tube-tube interaction between one inner tube and several different outer tubes. The highest RBM frequency detected is 484 cm(-1) corresponding to a tube diameter of only 0.50 nm. Labeling of the Raman lines with the folding vector is provided for all inner tubes. This labeling is supported by density functional calculations.     

Size effect of quantum conductance in single-walled carbon nanotube quantum dots

The quantum conductance of two kinds of carbon nanotube quantum dots (CNQD) composed of (5,5) and (10,0) tubes, namely (10,0)/(5,5)/(10,0) and (5,5)/(10,0)/(5,5) with different quantum sizes, are calculated. It is shown that for (10,0)/(5,5)/(10,0) CNQD, one on-resonant peak at the Fermi energy exists only for special QD sizes, and the width of the conductance gap increases from 1.0 eV to 3.2 eV with the increase of size. The positions of peaks around the Fermi energy are obtained by the electronic structure of individual finite (5,5) tubes. We also find that the (5,5)/(10,0)/(5,5) CNQDs behave as a quantum dot, and its localized QD states are different from that of the former CNQD because of the existence of the interface states between (5,5)/(10,0) junctions. For (5,5)/(10,0)/(5,5) CNQD, there is no conductance gap with QDs size smaller than 7 layers, and the conductance peak around the interface quasilocalized state -0.26 eV disappears with QD sizes larger than 23 layers. In addition, for the (5,5)/(10,0)/(5,5) CNQD, the connection method can change the degree of electronic localization of intermediate (10,0) tube.Received: 8 August 2003, Published online: 23 December 2003PACS: 61.48. + c Fullerenes and fullerene-related materials - 71.20.Tx Fullerenes and related materials; intercalation compounds - 72.80.Rj Fullerenes and related materials - 68.55.Ln Defects and impurities: doping, implantation, distribution, concentration, etc.     

Isotope engineering of carbon nanotube systems

The synthesis of a unique isotope engineered system, double-wall carbon nanotubes with natural carbon outer and highly 13C enriched inner walls, is reported from isotope enriched fullerenes encapsulated in single-wall carbon nanotubes (SWCNTs). The material allows the observation of the D line of the highly defect-free inner tubes that can be related to a curvature induced enhancement of the electron-phonon coupling. Ab initio calculations explain the inhomogeneous broadening of inner tube Raman modes due to the distribution of different isotopes. Nuclear magnetic resonance shows a significant contrast of the isotope enriched inner SWCNTs compared to other carbon phases and provides a macroscopic measure of the inner tube mass content. The high curvature of the small diameter inner tubes manifests in an increased distribution of the chemical shift tensor components.     

Molecular dynamic investigation of mechanical properties of armchair and zigzag double-walled carbon nanotubes under various loading conditions

Using molecular dynamic simulation (MDS), effects of chirality and Van der Waals interaction on Young's modulus, elastic compressive modulus, bending, tensile, and compressive stiffness, and critical axial force of double-walled carbon nanotube (DWCNT) and its inner and outer tubes are considered. Achieving the highest safety factor, mechanical properties have been investigated under applied load on both inner and outer tubes simultaneously and on each one of them separately. Results indicate that as a compressive element, DWCNT is more beneficial than single-walled carbon nanotube (SWCNT) since it carries two times higher compression before buckling. Except critical axial pressure and tensile stiffness, in other parameters zigzag DWCNT shows higher amounts than armchair type. Outer tube has lower strength than inner tube; therefore, most reliable design of nanostructures can be attained if the mechanical properties of outer tube taken as the properties of DWCNT.     

Interaction of magic gold cluster with Si$_\mathsf{60}$ cage

First-principles studies are performed on Au₁₂W@Si₆₀ by using projector-augmented wave (PAW) method and generalized gradient approximation for the exchange-correlation energy. The geometry, electronic structure, orbital hybridization, and charge transfer are discussed. It is found that the magic Au₁₂W cluster interacts strongly with Si, thus stabilizes Si₆₀ cage structure. Meanwhile the metal cluster is dissociated when encapsulated in the Si₆₀ cage, and charges are transferred from the Si cage to the metal atoms.Received: 30 December 2003, Published online: 17 February 2004PACS: 61.48. + c Fullerenes and fullerene-related materials - 36.40.Cg Electronic and magnetic properties of clusters - 61.46. + w Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals - 71.20.Tx Fullerenes and related materials; intercalation compounds     

Anti‐Stokes Raman spectroscopy as a method to identify the metallic and semiconducting configurations of double‐walled carbon nanotubes

Although Raman spectra reveal, as a signature of double‐walled carbon nanotubes (DWCNTs), two radial breathing mode (RBM) lines associated with the inner and outer tubes, the specification of their nature as metallic or semiconducting remains a topic for debate. Investigating the spectral range of the RBM lines, we present a new procedure of the indexing of the semiconducting or metallic nature of the inner and outer shell that forms the DWCNT. The procedure exploits the difference between the intensities of recorded anti‐Stokes Raman spectrum and the anti‐Stokes spectrum calculated by applying the Boltzmann formulae to the recorded Stokes spectrum. The results indicate that the two spectra do not coincide with what should happen in a normal Raman process, namely, that there are RBM lines of the same intensity in both spectra, as well as RBM lines of higher intensity that are observed in the calculated spectrum. This discrepancy results from the surface‐enhanced Raman scattering mechanism that operates differently on metallic or semiconducting nanotubes. In this context, the analysis of the RBM spectrum can reveal pairs of lines associated with the inner/outer shell structure of DWCNT, and when the intensities between the recorded and calculated spectra coincide, the nanotube is metallic; otherwise, the nanotube is semiconducting. Copyright © 2014 John Wiley & Sons, Ltd.     

Single-crystal structural study of the pressure-temperature-induced dimerization of C<Subscript>60</Subscript>

We present a study by Raman spectroscopy and X-ray diffraction/diffuse scattering of C₆₀ single-crystals treated at high-pressure and high-temperature. This allowed us to obtain structural information on the C₆₀ dimer state which can be considered as an intermediate state in the polymerization process. In the 1-6 GPa pressure range the crystals are primarily formed of dimers with additional minor fractions of monomers, 1D and 2D polymers, as shown by the analysis of the Raman spectra. The dimers are disordered within an average cubic lattice derived from that of the monomer. Single-crystal diffraction patterns reveal a characteristic diffuse scattering intensity distribution which has been simulated by calculating the diffuse scattering produced by dimer and trimer model structures. Satisfactory agreement is obtained for random positional and orientational disorder of the C₆₀-C₆₀ dimers although a small concentration of similarly disordered trimers is likely. In a first approximation the dimer/trimer disorder can be considered as random but various inter-dimer correlations are probably present, as discussed.Received: 3 October 2003, Published online: 19 February 2004PACS: 61.48. + c Fullerenes and fullerene-related materials - 61.43.Bn Structural modeling: serial-addition models, computer simulation - 78.30.Na Fullerenes and related materialsT. Wågberg: Present address: Groupe de Dynamique des Phases Condensées, Université Montpellier II, Place E. Bataillon, CC026, 34095 Montpellier, France     

Anisotropic packing and one-dimensional fluctuations of C60 molecules in carbon nanotubes

The confinement of a C60 molecule encapsulated in a cylindrical nanotube depends on the tube radius. In small tubes with radius RT approximately < 7 A, a fivefold axis of the molecule coincides with the tube axis. The interaction between C60 molecules in the nanotube is then described by a O2-rotor model on a 1D liquid chain with coupling between orientational and displacive correlations. This coupling leads to chain contraction. The structure factor of the 1D liquid is derived. In tubes with a larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of Ag modes of C60 in nanotubes measured by resonant Raman scattering.     

对感生电场计算方法的探讨

对于感生电场的计算问题,在大学电磁学教材中一般都是利用反证法证明螺线管管内外的E感线都是与螺线管轴线相垂直的同心圆.笔者在此利用解析法和类比法两种方法来证明螺线管管内外的E感线都是与螺线管轴线相垂直的同心圆,并在此基础上计算了E感的大小,以供教学参考.     

Carbon nanotube film synthesized from ethanol and its oxidation behavior in air

In this paper, we propose an efficient way to synthesize carbon nanotube films using ferrocene and ethanol. The as-grown film is free-standing, semi-transparent, and of macro scale size. The tubes in the film are mostly singleor double-walled. The oxidation behavior of the film is studied via Raman spectroscopy, and the result indicates that the inner wall of the double-walled tube is effectively protected from oxidation by the outer wall.     

Radial breathing vibration of double-walled carbon nanotubes subjected to pressure

A theoretical vibrational analysis of the radial breathing mode (RBM) of double-walled carbon nanotubes (DWCNTs) subjected to pressure is presented based on an elastic continuum model. The results agree with reported experimental results obtained under different conditions. Frequencies of the RBM in DWCNTs subjected to increasing pressure depend strongly on circumferential wave numbers, but weakly on the aspect ratio and axial half-wave numbers. For the inner and outer tubes of DWCNTs, the frequency of the RBM increases obviously as the pressure increases under different conditions. The range of variation is smaller for the inner tube than the outer tube.     

Experiments on New Arrangements of Convex and Concave Corrugated Tubes through a Double-pipe Heat Exchanger

The main scope of this article paper is to experimentally clarify the effects of outer-tube and inner-tube corrugations on thermal and frictional characteristics in a horizontal double-pipe heat exchanger. Nusselt number, friction factor, and thermal performance factor are evaluated for new various arrangements of convex and concave corrugated tubes. Smooth tubes were corrugated by means of a special machine. Findings indicate that the arrangement type of corrugated tubes has a significant effect on the mentioned parameters. The best performance was obtained for a heat exchanger made of a concave corrugated outer tube and a convex corrugated inner tube.     

Insulating surface layer on single crystal K $\mathsf{_{3}}\mathsf{C}\mathsf{_{60}}$

Using angle-dependent photoemission spectra of core and valence levels we show that metallic, single crystal K³C₆₀ is terminated by an insulating or weakly-conducting surface layer. We attribute this to the effects of strong intermolecular correlations combined with the average surface charge state. Several controversies on the electronic structure are thereby resolved.Received: 16 July 2004, Published online: 5 November 2004PACS: 71.20.Tx Fullerenes and related materials; intercalation compounds - 73.20.-r Electron states at surfaces and interfaces - 79.60.Bm Clean metal, semiconductor, and insulator surfaces     

基于分布参数模型的CO_2蒸发器结构参数研究

在设计工况下,建立了用于跨临界二氧化碳热泵热水器的套管式蒸发器的稳态分布参数模型,对其结构参数进行了敏感性分析,指出了它们的合理变化范围:管内套1根管时,内管外径应至少大于11.00mm,低于13.00mm,外管内径应在20.00mm以上,23.00mm以下;管内套多根管时,以管内套3根管的性能为最优。优化设计结果对开发二氧化碳蒸发器产品具有一定的指导意义。     

Vibrational properties of C<Subscript>20</Subscript>-based solids

The phonon dispersion relations and IR spectrum of a C₂₀-based solid recently identified experimentally [Iqbal et al. , Eur. Phys. J. B 31, 509 (2003)] have been computed by density functional perturbation theory. Other competitive structures made by assembling C₂₀ clusters have been considered as well. In particular, we have computed the structure and the Raman spectra of two-dimensional polymeric phases of hydrogenated C₂₀ clusters which might be formed under different synthesis conditions. Fingerprints of the different phases have been identified in the vibrational spectra which could be used in the experimental search of C₂₀-based solids.Received: 29 September 2003, Published online: 15 March 2004PACS: 61.48. + c Fullerenes and fullerene-related materials - 63.20.-e Phonons in crystal lattices - 78.30.-j Infrared and Raman spectra     

Structural models and undamped torsional natural frequencies of a superconducting turbogenerator rotor

Superconducting turbogenerators with a “double rotor structure” have a torsional natural frequency within the generator, the outer rotor moving in opposition to the inner rotor. For large machines this natural frequency may approach 100 Hz. In this paper a finite element model and simple lumped mass and spring models of the rotor, for the calculation of the undamped torsional natural frequencies, are described and compared. A method by which equivalent spring stiffnesses for both the inner and outer rotors can be derived is described, allowing one to use a rotor model with one lumped mass and equivalent spring stiffness for each of the inner and outer rotors. Such a rotor model can be readily used for studying electromagnetic interaction effects and assessing fault torques in the outer rotor and inner rotor torque tubes.     

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     

Electronic bisection of a single-wall carbon nanotube by controlled chemisorption

Conversion of two diametrically opposed atomic rows on a carbon nanotube to sp(3) hybridization produces two identical weakly coupled one-dimensional electronic systems within a single robust covalently bonded package: a biribbon. Arm-chair tubes, when so divided, acquire a pair of narrow spin-polarized bands at the Fermi energy; interaction across the sp(3) dividers produces a tunable band splitting in the THz range. For semiconducting tubes, the eigenvalues of the low-energy electronic states are surprisingly unaffected by the bifurcation; however, the tubes' response functions to external electric fields are dramatically altered. These modified tubes could be produced by uniaxial compression transverse to the tube axis followed by site-selective chemisorption.     

Strain induced correlation gaps in carbon nanotubes

We calculate the change in the correlation gap of armchair carbon nanotubes with uniaxial elastic strain. We predict that such a stretching will enlarge the correlation gap for all carbon nanotubes by a change that could be as large as several meV per percent of applied strain, in contrast with pure band structure calculations where no change for armchair carbon nanotubes is predicted. The correlation effects are considered within a self-consistent Hartree-Fock approximation to the Hubbard model with on-site repulsion only.Received: 29 December 2003, Published online: 20 April 2004PACS: 62.25. + g Mechanical properties of nanoscale materials - 71.10.Pm Fermions in reduced dimensions (anyons, composite fermions, Luttinger liquid, etc.) - 71.20.Tx Fullerenes and related materials; intercalation compounds     

Interaction of a low-pressure mercury discharge with the discharge tube wall

The darkening of soda-lime glass envelopes of low-pressure mercury discharge tubes has nothing to do with the formation of sodium amalgam on the inner surface of the tube. It is, however, connected with the diffusion of mercury ions into the glass of the tube. By applying a high negative voltage to part of the outer surface of a burning tube a sodium depleted region is created at the corresponding part of the inner surface. After removal of the high-voltage electrode and continued normal operation the rate of darkening of the sodium-depleted part of the tube is about 50 times larger than the rate observed for the normal parts of the same tube.