Interaction kinetics of atoms and molecules on carbon nanotube surfaces

We review recent experimental investigations of the interaction of gases with the surface of single-wall carbon nanotube bundles. We discuss thermal desorption spectra of both non-polar and polar adsorbates for low and high coverage. We show experimental results for diffusion processes of Xe along and within carbon nanotube bucky paper material, which is consistent with a recently proposed coupled desorption diffusion (CDD) model. We further discuss details of the interaction of ammonia with carbon nanotube surfaces, including the experimental investigation of the influence of adsorbed ammonia on the electrical transport properties of carbon nanotubes under ultra-high vacuum conditions.     

Pattern formation on anisotropic and heterogeneous catalytic surfaces

We review experimental and theoretical work addressing pattern formation on anisotropic and heterogeneous catalytic surfaces. These systems are typically modeled by reaction-diffusion equations reflecting the kinetics and transport of the involved chemical species. Here, we demonstrate the influence of anisotropy and heterogeneity in a simplified model, the FitzHugh-Nagumo equations. Anisotropy causes stratification of labyrinthine patterns and spiral defect chaos in bistable media. For heterogeneous media, we study the situation where the heterogeneity appears on a length scale shorter than the typical pattern length scale. Homogenization, i.e., computation of effective medium properties, is applied to an example and illustrated with simulations in one (fronts) and two dimensions (spirals). We conclude with a discussion of open questions and promising directions that comprise the coupling of the microscopic structure of the surface to the macroscopic concentration patterns and the fabrication of nanostructures with heterogeneous surfaces as templates. (c) 2002 American Institute of Physics.     

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     

Defect-controlled transport properties of metallic atoms along carbon nanotube surfaces

The diffusion mechanism of indium atoms along multiwalled carbon nanotubes is studied by means of photoemission spectromicroscopy and density functional theory calculations. The unusually high activation temperature for diffusion (approximately 700 K), the complex C 1s and In 3d5/2 spectra, and the calculated adsorption energies and diffusion barriers suggest that the indium transport is controlled by the concentration of defects in the C network and proceeds via hopping of indium adatoms between C vacancies.     

Single-walled carbon nanotube formation on iron oxide catalysts in diffusion flames

Single-walled carbon nanotubes (SWCNTs) are shown to grow rapidly on iron oxide catalysts on the fuel side of an inverse ethylene diffusion flame. The pathway of carbon in the flame is controlled by the flame structure, leading to formation of SWCNTs free of polycyclic aromatic hydrocarbons (PAH) or soot. By using a combination of oxygen-enrichment and fuel dilution, fuel oxidation is favored over pyrolysis, PAH growth, and subsequent soot formation. The inverse configuration of the flame prevents burnout of the SWCNTs while providing a long carbon-rich region for nanotube formation. Furthermore, flame structure is used to control oxidation of the catalyst particles. Iron sub-oxide catalysts are highly active toward SWCNT formation while Fe and Fe₂O₃ catalysts are less active. This can be understood by considering the effects of particle oxidation on the dissociative adsorption of gas-phase hydrocarbons. The optimum catalyst particle composition and flame conditions were determined in near real-time using a scanning mobility particle sizer (SMPS) to measure the catalyst and SWCNT size distributions. In addition, SMPS results were combined with flame velocity measurement to measure SWCNT growth rates. SWCNTs were found to grow at rates of over 100 μm/s.     

Single-walled carbon nanotube formation with double laser vaporization technique

Single-walled carbon nanotubes (SWNTs) were prepared with double laser vaporization of a graphite target and a metal/alloy target inside an electric furnace at 1200 ^°C ambient temperature with 500 torr Ar gas atmosphere. Each target was vaporized simultaneously with a different Nd:YAG laser. Several kinds of metal/alloy target (Ni, Co, Fe, and permalloy) were tested in order to see the difference in the resulting SWNT yield and the diameter distribution of them. The Raman spectra of SWNT-containing soot prepared by use of this technique with permalloy/carbon system indicated that permalloy gives almost the same yield as compared with Ni/Co carbon composite rod with single laser vaporization technique, though the diameter distribution of them is slightly different. Also, time-resolved images of the plume by carbon and permalloy nanoparticles after laser vaporization were collected using a high-speed video camera. These images suggest that the hot plumes due to carbon and permalloy nanoparticles do not mix together so extensively, at least in a few hundred microseconds after laser vaporization. The effect of time delay between two laser pulses on the yield and the diameter distribution of SWNTs was also presented and discussed.     

Superhydrophobic/superhydrophilic surfaces from a carbon nanotube based composite coating

A facile method for forming a MWNT-based composite coating with behavior of the superhydrophilic/superhydrophobic transition is demonstrated. The change of the surface microstructure and the surface chemical composition arising from increasing temperatures determines the surface wettability of the resulting composite coating. The coating surface shows the superhydrophobic property at 150, 200, and 360°, and displays superhydrophilic performance at 300°C.     

On the mechanism of carbon nanotube formation in electrochemical processes

Quantum-chemical methods are used to analyze the mechanism of carbon nanotube formation in the electrochemical bath, where tiny fragments of graphene planes are in the environment of atoms and ions of alkali metals and halogens. In the optimal configuration, alkali metal atoms move toward the edge of a graphene fragment, whereas halogen atoms remain at the sites of their initial attachment. When the graphene fragments “burdened” by alkali metal and halogen atoms interact with each other, the overall graphene configuration twists in a natural way into a nanotube-like open-end structure.     

Amino functionalization of carbon nanotube surfaces with NH3 plasma treatment

NH₃ plasma treatment of carbon nanotube (CNT) surfaces was performed with the purpose of incorporating amino groups onto the surface. Amino groups incorporated onto the CNT surface were indentified and quantified using chemical derivatization with pentafluorobenzaldehyde and subsequent characterization with X-ray photoelectron spectroscopy (XPS). The amount of incorporated amino groups reached a maximum value with increasing plasma power. The incorporation of amino groups was seriously affected by the degradation of the CNT surface during the plasma treatment, which became very serious at high plasma power, as verified with optical emission spectroscopy (OES) and FT-IR analyses. The type of species present in the plasma discharge also seems to be important for amino group functionalization; partially decomposed ammonia species are considered to be more favorable than fully decomposed atomic species.     

Exciton distribution on single-walled carbon nanotube

In this paper we calculate the binding energy of an exciton using the tight-binding model and discuss the exciton distribution in detail. We analytically explain the dependence of the distribution direction of exciton on the chiral angle, and the distribution localization along the tube axis and oscillating along the tube circumference. The size of exciton is estimated to be slightly larger than the diameter of the nanotube and it shows two family patterns versus the inverse of tube diameter as similar as in the exciton binding energy.     

Ultra-long carbon nanotube growth on catalyst

Ultra-long carbon nanotube growth with Fe particles sitting at tip end as a function of reaction time, reaction temperature, diameter of the carbon nanotube, damping factor of the system, and the type of catalyst in chemical vapor deposition is investigated by using a theoretical analysis on the phonon vibration of the system. Simulations demonstrate that metal cluster makes and keeps the carbon atoms at tip end reactive. So carbon nanotube grows more than 4 cm. In addition, results show carbon nanotubes with larger diameter grow lesser owing to higher damping factors. In addition, effect of temperature on growth is discussed and it is shown that there is an optimum temperature for growth process. Lastly, dependence of type of catalyst on growth process is investigated.     

硅纳米颗粒在碳纳米管表面生长的分子动力学模拟

采用分子动力学模拟方法研究了硅纳米颗粒在碳纳米管上的生长，并分析了这种复合材料的基本结构.研究表明，由于硅原子和碳纳米管之间的相互作用以及碳纳米管的巨大的表面曲率，硅原子在碳纳米管表面不是形成覆盖碳纳米管的二维薄膜，而是生成具有三维结构的硅纳米颗粒.小纳米颗粒的结构和无基底条件下生成的颗粒结构基本一致.对于大纳米颗粒，不同于无基底条件下形成的球状纳米晶体硅结构，硅纳米颗粒沿管轴方向伸长，其结构为类似于硅晶体的无定形网络结构. 关键词： 纳米颗粒 碳纳米管 硅 分子动力学模拟     

Pattern formation in binary fluids confined between rough, chemically heterogeneous surfaces

Using a mesoscale model for hydrodynamics, we simulate driven flow of AB binary fluids past surfaces that contain well-defined roughness or asperities. The geometry and wetting properties of the asperities are found to have a dramatic effect on the flow patterns. We isolate conditions where the A fluid forms vertical bands that bridge the asperities and an imposed shear (or pressure gradient) drives the system to form monodisperse droplets of A within the B fluid. The size of the droplets can be tailored by varying the morphology of the asperities. The surfaces needed to create this rich dynamical behavior are used as the stamps in microcontact printing; thus, the parameter space can readily be accessed experimentally, and the predictions suggest an efficient method for forming emulsions with well-controlled morphologies.     

Transparent carbon nanotube coatings

Thin networks of carbon nanotubes (CNTs) are sprayed onto glass or plastic substrates in order to obtain conductive transparent coatings. Transparency and conductivity at room temperature of different CNT material are evaluated. CNT coatings maintain their properties under mechanical stress, even after folding the substrate. At a transparency of 90% for visible light we observe a surface resistivity of 1 kΩ/sq which is already a promising value for various applications.     

On the mechanism of carbon nanotube formation: the role of the catalyst

This work examines the recent developments in non-traditional catalyst-assisted chemical vapour deposition of carbon nanotubes (CNTs) with a view to determining the essential role of the catalyst in nanotube growth. A brief overview of the techniques reliant on the structural reorganization of carbon to form CNTs is provided. Additionally, CNT synthesis methods based upon ceramic, noble metal, and semiconducting nanoparticle catalysts are presented. Experimental evidence is provided for CNT growth using noble metal and semiconducting nanoparticle catalysts. A model for CNT growth consistent with the experimental results is proposed, in which the structural reorganization of carbon to form CNTs is paramount.     

On the mechanism of carbon nanotube formation: I. The thermodynamics of formation of carbon molten drops in a metallic catalyst

Carbon molten drops in a metallic catalyst are known to be nucleation centers for carbon nanotubes. The problem of the kinetics of condensation of such drops in wide concentration ranges of carbon and metal vapors is considered. The equilibrium distribution of the drops over the size and mole fraction of the components is obtained. The main result is the calculation of the quasi-steady-state rate of condensation of the molten drops in a supersaturated carbon vapor. This result forms the basis for the calculation of the characteristics of explosive and rapid condensation of the vapor upon its cooling. This calculation is performed in the next part of this work.     

Quantum walk transport on carbon nanotube structures

We study source-to-sink excitation transport on carbon nanotubes using the concept of quantum walks. In particular, we focus on transport properties of Grover coined quantum walks on ideal and percolation perturbed nanotubes with zig-zag and armchair chiralities. Using analytic and numerical methods we identify how geometric properties of nanotubes and different types of a sink altogether control the structure of trapped states and, as a result, the overall source-to-sink transport efficiency. It is shown that chirality of nanotubes splits behavior of the transport efficiency into a few typically well separated quantitative branches. Based on that we uncover interesting quantum transport phenomena, e.g. increasing the length of the tube can enhance the transport and the highest transport efficiency is achieved for the thinnest tube. We also demonstrate, that the transport efficiency of the quantum walk on ideal nanotubes may exhibit even oscillatory behavior dependent on length and chirality.     

The nanoactuator based on a carbon nanotube

A concept is proposed for a nanoactuator that is based on a carbon nanotube and is intended for transforming the forward force aligned with the nanotube axis into the relative rotation of the walls. Possible schemes of the nanoactuator are considered, and the numerical calculations demonstrating the principle of its operation are performed. Possible methods for driving the nanoactuator are discussed.