Formation of odd-numbered clusters of CO2 adsorbed on nanotube bundles

Simulations show that CO2 adsorbed in the groove sites of carbon nanotubes displays unique quasi-one-dimensional behavior. Clusters containing only odd numbers of molecules are formed at finite CO2 coverages and low temperatures. The molecules are orientationally ordered with respect to the nanotube groove axis and azimuthally ordered in the plane perpendicular to the groove axis. This ordering is a result of a delicate balance between solid-fluid and fluid-fluid forces; the CO2 quadrupole plays a critical role in the cluster formation and orientational ordering.     

Novel polygonized single-wall carbon nanotube bundles

We have synthesized novel crystalline ropes of "polygonized" single-wall carbon nanotubes (SWCNTs). The tubes exhibit rounded-hexagonal cross sections in contrast to the earlier observations of nearly circular tubes. To investigate the structural characteristics of the lattice of SWCNTs we have performed extensive molecular-dynamics simulations. We find several metastable structures of the lattice characterized by different tube cross sections, hexagonal, rounded-hexagonal, and circular, and increasing cell volume. The competition between different tube shapes as a function of tube diameter is analyzed and compared to experiments.     

One-dimensional and two-dimensional quantum systems on carbon nanotube bundles

We report the first measurement of the structure of 4He atoms adsorbed on bundles of single-walled carbon nanotubes. Neutron diffraction techniques and nanotube samples closed at the end were used. At low coverage, 4He forms a 1D, single line lattice along the grooves between two nanotubes on the surface of the nanotube bundles. As coverage is increased, additional lines of 1D lattices form along the grooves. This is followed by an incommensurate, 2D monolayer covering the whole nanotube bundle surface. The lattice constants of these 1D and 2D systems are largely independent of filling once a single 1D line is formed. No occupation of the interstitial channels between nanotubes is observed in the present sample.     

Diffusion of CO2/CH4 confined in narrow carbon nanotube bundles

ABSTRACT

The diffusion of a CO₂/CH₄ mixture in carbon nanotube (CNT) bundles was studied using molecular simulations. The effect of diameter and temperature on the diffusion of the mixture was investigated. Our results show that the single-file diffusion occurs when CO₂ and CH₄ are confined in CNTs of diameter less than 1.0 nm. In CNTs of diameter larger than 1.0 nm, both molecules diffuse in the Fickian style. The transition from single-file to Fickian diffusion was demonstrated for both CO₂ and CH₄ molecules. A dual diffusion mechanism was observed in the studied (20, 0) CNT bundle, single-file diffusion of CO₂ in the interstitial sites of (20, 0) CNT bundle and Fickian diffusion of CO₂ and CH₄ in the pores. For CO₂, the interaction energies (CO₂–CO₂ and CO₂–CNT) are larger than that of CH₄ in all cases. But only a very small difference in the diffusion coefficient was observed between CO₂ and CH₄. Temperature has a negligible effect on the difference between diffusion coefficients of CO₂ and CH₄ in the studied CNT bundles. The adsorption, diffusion and permeation selectivities are discussed and compared, and the adsorption is demonstrated to be the rate limiting step for the separation of CO₂/CH₄ in CNT bundle membranes.     

Growth of patterned and aligned carbon nanotube bundles on micro-structured substrate

Microstructures are used as inducement for growth of patterned and aligned carbon nanotube (CNT) bundles by pyrolysis of iron phthalocyanine (FePc) under H₂/Ar. The flow of mixture gas can be influenced by geometry profile of microstructure, and the distribution density of catalyst will be different related to the different microstructure. Many types of substrates with different microstructures are used in this study, and several different profiles of CNT bundles are achieved under different process conditions, especially an apical dominance like plant growth is observed under specific H₂/Ar flow rate. Through using appropriate microstructures and controlling the flow rate, the density of CNT bundles can be adjusted, which is very important for weakening electric field shielding effect.     

Dynamics and damping of electromagnetic solitons in the carbon nanotube bundles

The possible existence of the electromagnetic solitons in carbon nanotubes is analyzed. Solitons appear as a result of a simultaneous change in the classical electron distribution function and the electric field produced by the nonequilibrium electrons in carbon nanotube. The effective equations are obtained for the dynamics of electromagnetic field with allowance for the interband transitions causing soliton damping. The numerical results are presented evidencing the existence of solitons in carbon nanotubes. The propagation dynamics is studied for the periodic electromagnetic waves in the bundles of carbon nanotubes. The shape of electromagnetic wave is found to change during its propagation.     

Si表面间水平碳纳米管束的分子动力学模拟研究

本文采用分子动力学模拟方法研究了Si表面间单壁水平碳纳米管束SWCNT (10,10)的变形和摩擦特性.系统在弛豫平衡后,首先对碳纳米管束施加压力至碳纳米管或Si表面结构破坏.之后在无压力和高压力两种情况下使上表面沿水平方向做剪切运动以研究碳纳米管束的摩擦特性.结果表明,由于碳纳米管的柔韧性,碳纳米管束在加载过程中出现明显变形,但直至3.8 GPa高压下并无结构破坏.系统无压力时SWCNT (10,10)在原地轻微随机滚动,压力为3.8 GPa时,碳纳米管束出现了整体的轻微滑动,同时伴随无规律的轻微滚动, 关键词： 碳纳米管束 摩擦 分子动力学模拟     

Theoretical calculations of thermophysical properties of single-wall carbon nanotube bundles

Carbon nanotube bundles are promising thermal interfacial materials due to their excellent thermal and mechanical characteristics.In this study,the phonon dispersion relations and density of states of the single-wall carbon nanotube bundles are calculated by using the force constant model.The calculation results show that the inter-tube interaction leads to a significant frequency raise of the low frequency modes.To verify the applied calculation method,the specific heat of a single single-wall carbon nanotube is calculated first based on the obtained phonon dispersion relations and the results coincide well with the experimental data.Moreover,the specific heat of the bundles is calculated and exhibits a slight reduction at low temperatures in comparison with that of the single tube.The thermal conductivity of the bundles at low temperatures is calculated by using the ballistic transport model.The calculation results indicate that the inter-tube interaction,i.e.van der Waals interaction,hinders heat transfer and cannot be neglected at extremely low temperatures.For(5,5) bundles,the relative difference of the thermal conductivity caused by ignoring inter-tube effect reaches the maximum value of 26% around 17 K,which indicates the significant inter-tube interaction effect on the thermal conductivity at low temperatures.     

碳纳米管束中的正电子理论

采用中性原子叠加模型和有限差分方法(SNA-FD)计算了大范围内不同管径的单壁碳纳米管束中的正电子情况，发现对于单壁碳纳米管束，正电子的主要湮没区域，湮没对象和正电子寿命随碳纳米管管径的不同而发生规律性变化.计算得到管径范围在0.8—1.6nm的碳纳米管束的正电子寿命范围为332—470ps，与实验测得的394ps符合较好.     

Gases Do not adsorb on the interstitial channels of closed-ended single-walled carbon nanotube bundles

We have experimentally determined the binding energies of Xe, CH4, and Ne on samples of closed-ended single-wall nanotube (SWNT) bundles. We find values for these quantities which are larger by approximately 75% on the SWNT samples than the values found for the same adsorbates on planar graphite. We have also determined the monolayer capacity of a SWNT sample using Xe and Ne adsorption. A comparison of all of our results leads us to conclude that none of the gases studied adsorb on the interstitial channels in the SWNT bundles.     

Adsorption of argon on carbon nanotube bundles and its influence on the bundle lattice parameter

We report experimental studies of the adsorption characteristics and structure of both 36Ar and 40Ar on single-wall carbon nanotube bundles. The structural studies make use of the large difference in coherent neutron scattering cross section for the two Ar isotopes to explore the influence of the adsorbate on the nanotube lattice parameter. We observe no dilation of the nanotube lattice with 40Ar, and explain the apparent expansion of this lattice upon 36Ar adsorption by the location of the adsorbed Ar atoms on the outer bundle surface.     

Charge-carrier dynamics in single-wall carbon nanotube bundles: a time-domain study

We present a real-time investigation of ultra-fast carrier dynamics in single-wall carbon nanotube bundles using femtosecond time-resolved photoelectron spectroscopy. The experiments allow us to study the processes governing the sub-picosecond and the picosecond dynamics of non-equilibrium charge carriers. On the sub-picosecond time scale the dynamics are dominated by ultra-fast electron–electron scattering processes, which lead to internal thermalization of the laser-excited electron gas. We find that quasiparticle lifetimes decrease strongly as a function of their energy up to 2.38 eV above the Fermi level – the highest energy studied experimentally. The subsequent cooling of the laser-heated electron gas to the lattice temperature by electron–phonon interaction occurs on the picosecond time scale and allows us to determine the electron–phonon mass-enhancement parameter λ. The latter is found to be over an order of magnitude smaller if compared, for example, with that of a good conductor such as copper. Received: 4 March 2002 / Accepted: 7 March 2002 / Published online: 3 June 2002     

Fabrication of carbon nanotube bundles and measurement of field electron emission properties

Carbon nanotube (CNT) bundles are synthesized on rough polycrystalline ceramic wafers by pyrolyzing ferrocene/melamine mixtures through a three-step process in a single stage furnace in an Ar atmosphere. The CNTs are multi-walled and have outer diameters from 10 to 90 nm and lengths from 20 to 100 microns. These CNTs display a bamboo-like structure with open graphite layers and defects at the outer surfaces. Field electron emission (FEE) measurements show that the turn-on electrical field is 2.9 V/m and the field enhancement factor is 2700. PACS 61.46.+w; 82.30.Lp; 79.70.+q     

Photoluminescence spectroscopy of carbon nanotube bundles: evidence for exciton energy transfer

We investigate photoluminescence of nanotube bundles. Their spectra are explained by exciton energy transfer between adjacent tubes, whereby excitation of large gap tubes induces emission from smaller gap ones. The consequent relaxation rate is faster than nonradiative recombination, leading to enhanced photoluminescence of acceptor tubes.     

Study of the 4He crystal surface

The evolution of the meniscus of a helium crystal near the (0001) face is traced during a change in the boundary conditions at the chamber wall in the temperature range 0.5–0.9 K. The critical behavior of the contact angle is studied. An anisotropy is detected in the crystal-glass interface energy. New data on the temperature dependence of the elementary-step energy are obtained.