碳纳米管/聚苯胺纳米复合管的制备及其微波介电特性研究

用原位乳液聚合法在碳纳米管表面包覆聚苯胺，制备出了碳纳米管/聚苯胺一维纳米复合管.复合管的直径为50—80 nm，聚苯胺包覆层的厚度为20—30 nm，聚苯胺在碳纳米管表面以层状和枝晶状两种形态生长.研究了碳纳米管/聚苯胺复合管在2—18 GHz的微波介电特性.与纯碳纳米管相比，碳纳米管/聚苯胺复合管的介电常数的实部ε′和虚部ε″在2—18 GHz随频率变化较小，在低频波段介电常数值较小，作为微波吸收剂容易实现与自由空间的阻抗匹配，而且它的介电损耗角正切(tanδ=ε″/ε′)较高，是一种很好的微波吸收剂. 关键词： 碳纳米管 聚苯胺 微波介电特性 微波吸收剂     

Specific features of low-frequency vibrational dynamics and low-temperature heat capacity of double-walled carbon nanotubes

A continuous model has been constructed for low-frequency dynamics of a double-walled carbon nanotube. The formation of the low-frequency part of the phonon spectrum of a double-walled nanotube from phonon spectra of its constituent single-walled nanotubes has been considered in the framework of the proposed approach. The influence of the environment on the phonon spectrum of a single double-walled carbon nanotube has been analyzed. A combined method has been proposed for estimating the coefficients of the van der Waals interaction between the walls of the nanotube from the spectroscopic data and the known values of the elastic moduli of graphite. The low-temperature specific heat has been calculated for doublewalled carbon nanotubes, which in the field of applicability of the model (T < 35 K) is substantially less than the sum of specific heats of two individual single-walled nanotubes forming it.     

Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density

The relationship between the electric properties and the vacancy density in single-walled carbon nanotubes has been investigated from first principles as well as the dependence of the influencing range of a vacancy in the nanotube on the nanotube chirality.Compared with the long-range interaction of the vacancies in a single-walled carbon nanotube with non-zero chiral angle,a much shorter interaction was found between vacancies in a zigzag single-walled carbon nanotube.In this study,we investigated the bandstructure fluctuations caused by the nanotube strain,which depends on both the vacancy density and the tube chirality.These theoretical results provide new insight to understand the relationship between the local deformation of a defective single-walled carbon nanotube and its measurable electronic properties.     

ZA27/CNT界面特性电子理论研究

依据原子结合能定义了界面结合能. 采用递归法计算了纳米管增强锌铝基复合材料中ZA27/CNT界面电子结构，揭示了纳米管在ZA27合金晶界分布的微观物理本质，及其ZA27/CNT弱界面结合的电子层面的原因. 研究发现：金属基体对纳米管增强相上的碳原子态密度影响很大，而纳米管对基体金属中的铝、锌原子影响很小. 碳原子态密度与基体金属原子趋于同化，使纳米管与基体金属结合，但因同化程度不高导致界面结合较弱，影响强化效果. 如果在纳米管装饰或镀上与基体金属性质相近的原子层，会极大改善复合材料的界面结合强度，提高复合材料性能. 关键词： 复合材料 纳米管 电子结构 界面     

Simulation of chemical adsorption of hydrogen by carbon nanotubes

The hydrogen chemical adsorption on a single-walled carbon nanotube (6, 6) has been studied by quantum-chemical computer simulation. Different variants of hydrogen coverage of the nanotube have been considered, and the dependences of the adsorption energy and the nanotube strain energy on the coverage density have been found. In addition, the adsorption has been considered on both the outer and inner surfaces of the nanotube wall. It has been established that some adsorption conformations are unstable, which leads to fracture of the nanotubes.     

外加电场作用下碳纳米管结构稳定性及结构修饰研究

利用外加电场的方法，对多壁碳纳米管的结构稳定性进行了研究.结果表明当场强达到30 V/nm时，碳纳米管端部的结构失稳，端部碳原子间的π键被打开，外部原子开始进入到碳纳米管的结构中.利用电子显微镜作为纳米加工仪器，通过外加电场的方法在多壁碳纳米管的端部制备了非晶态碳纳米线，形成碳纳米管-纳米线复合结构.碳纳米管和纳米线结合处的σ键作为绝缘界面，形成了电子输运的势垒.     

The impact of a carbon nanotube on the cholesterol domain localized on a protein surface

The influence of a single walled carbon nanotube on the structure of a cholesterol cluster (domain) developed over the surface of the endothelial protein 1LQV has been investigated using the classical molecular dynamics (MD) simulation technique. We have observed a substantial impact of carbon nanotube on the arrangement of the cholesterol domain. The carbon nanotube can drag out cholesterol molecules, remarkably reducing the volume of the domain that settles down on the protein.     

Comparison of metallic silver and copper doping effects on single-walled carbon nanotubes

In this work we performed the filling of single-walled carbon nanotube channels with metallic silver and copper by means of two-step synthesis including imbuing with metal nitrate aqueous solution and further annealing. It has been shown that metal insertion into the nanotube cavities results in the Fermi level upshift and the charge transfer from metal to carbon atoms, thus donor doping of single-walled carbon nanotubes takes place. At the same time, encapsulated silver has a larger donor effect on the carbon nanotubes that has been proved by Raman spectroscopy and X-ray photoelectron spectroscopy.     

Structure amplitude of a carbon nanotube

The diffraction pattern of atomic systems with cylindrical symmetry, such as polymers and liquid crystals, represents a set of diffuse spots located on layer lines. The carbon nanotube has cylindrical symmetry, and, correspondingly, its diffraction pattern exhibits properties of similar systems (polymers and liquid crystals). A theoretical analysis of the structure amplitude of a single-walled carbon nanotube has been performed.     

碳纳米管复合吸波涂层微波吸收性能的模拟计算

如何利用碳纳米管复合吸波涂层的参数进行吸波性能优化是电磁屏蔽研究的热点之一.涂层参数对吸波性能影响的研究主要停留在实验探索阶段,而碳纳米管的结构参数对吸波性能影响的研究鲜有报道.因此,从微观结构层次研究涂层参数对吸波性能的影响有重要意义.基于多壁碳纳米管的等效电路,利用碳纳米管结构参数与等效电路各元件参数的关系,研究了碳纳米管损耗微波的机理,建立了碳纳米管结构参数与微波反射率的关系式.根据此关系式,利用Matlab软件模拟计算了碳纳米管管长、管径、涂层中碳纳米管的含量以及涂层厚度对微波反射率的影响.模拟计算结果表明:涂层的微波反射率随碳纳米管含量变化的模拟曲线与实验结果符合;碳纳米管含量和厚度是影响吸收峰位置和吸收强度的重要参量,而碳纳米管直径和长度是主要影响吸收峰强度的参量.     

Measuring the thermal conductivity of a single carbon nanotube

Although the thermal properties of millimeter-sized carbon nanotube mats and packed carbon nanofibers have been readily measured, measurements for a single nanotube are extremely difficult. Here, we report a novel method that can reliably measure the thermal conductivity of a single carbon nanotube using a suspended sample-attached T-type nanosensor. Our experimental results show that the thermal conductivity of a carbon nanotube at room temperature increases as its diameter decreases, and exceeds 2000 W/mK for a diameter of 9.8 nm. The temperature dependence of the thermal conductivity for a carbon nanotube with a diameter of 16.1 nm appears to have an asymptote near 320 K. The present method is, in principle, applicable to any kind of a single nanofiber, nanowire, and even single-walled carbon nanotube.     

镁/镀镍碳纳米管界面特性电子理论研究

建立了复合材料中（镀镍）碳纳米管/镁界面原子集团模型,采用递归法计算了界面电子结构.计算表明：镀镍碳纳米管与镁形成的界面结构能、原子结合能较低,镍能够加大纳米管/基体界面结构的稳定性,促进界面结合强度的提高;在界面镍镀层中镁原子的相互作用能为正,说明镍镀层中的镁原子相互排斥,不能形成原子团簇,具有有序化倾向,形成起到强化界面作用的有序相;碳、镁原子在未镀镍碳纳米管与镁的界面格位能较高,降低界面稳定性,因而界面比较脆弱.碳纳米管镀镍后,镍使界面处镁、碳的格位能大幅降低,界面稳定性增强. 关键词： 复合材料 纳米管 电子结构 界面     

碳纳米管网络导电特征的导电型原子力显微镜研究

利用导电型原子力显微镜对大范围碳纳米管（CNT）网络的导电性能进行成像观察.研究发现：在几十微米的成像范围内,每根CNT本身的电阻远小于CNT之间的接触电阻,以致于在电压偏置的网络中不同的CNT呈现电位不同的等位体;CNT的导电性能虽不因与其他CNT的交叠接触而改变,但是如果缠绕成束,则半导体性CNT趋于呈现金属性CNT的导电特征. 关键词： 导电型原子力显微镜 碳纳米管网络 碳管纳米电导     

碳纳米管/聚二甲基硅氧烷复合薄膜的制备及力敏特性研究

针对传感器的敏感单元发展需求,提出了一种碳纳米管复合材料.该材料是以碳纳米管作为填充粒子,结合聚二甲基硅氧烷(PDMS)有机基体,采用超声共混方法制备的一种新型传感器敏感元件.详细分析研究了复合材料的制备工艺参数,以及在不同工艺参数下该复合材料的力敏特性.扫描电镜测试表明碳纳米管在PDMS中分散均匀且镶嵌良好.通过对不同体积分数的碳纳米管与PDMS复合材料进行电学性能测试,研究薄膜的"力-电阻"和"力-电容"耦合性能,测试了薄膜结构的力敏效应.计算得到复合薄膜材料的压阻灵敏度因子达到40,压电容灵敏度因子达到70.实验研究表明,通过改变碳纳米管与PDMS的比例,可以很好地调节其电子输运特性以及电阻和电容的应力敏感特性,可以为该类型的力敏材料在不同的力敏传感技术领域提供新的研究思路.     

富勒烯及碳纳米管,实验学家和理论学家的竞技场(英文)

pacc:8100 Theinterplaybetweenexperimentsandtheo ryhasbeenplayinganimportantrolefromthe verybeginningoffullereneandcarbonnanotube science.Inthistalk,wewillpresentourmostre centstudiesoncomputationalfullereneandsingle -walledcarbonnanotube(SWCNT)chemistry…     

POSITRON ANNIHILATION IN CARBON NANOTUBE POWDERS

Positron lifetime spectra have been measured in two kinds of carbon nanotube powders as a function of temperature range between 32 and 296 K. It has been found that all spectra are essentially temperature-independent in the above temperature range. The results of analysis show that there are three components in the powders of carbon nanotube with an average diameter of 30 nm, and four components in the powders of carbon nanotube with typical diameters of around 15 nm. The average values of lifetime components obtained at various temperatures are about 220, 390 ps, and 2.0 ns for the former, and about 140, 300, 650 ps and 6.4 ns for the latter.     

界面羟基对碳纳米管摩擦行为和能量耗散的影响

本文采用分子动力学模拟研究了羟基对碳纳米管摩擦和能量耗散方式的影响.研究结果表明:由于界面间氢键的形成,碳纳米管所受的平均摩擦力明显增大;随着羟基比例的改变,界面间氢键的数量与摩擦力的变化趋势一致;碳纳米管的手性角对摩擦力有一定的影响,扶手椅型碳纳米管所受的摩擦力比其他类型的碳纳米管的大;直径对摩擦力的影响较大,直径越大界面间的摩擦力越大,其原因是大直径的碳纳米管底部变平导致界面接触面积增大;界面接枝羟基后,体系的声子态密度中出现羟基的振动峰;随羟基比例的增加,羟基的振动在能量耗散中起到更为重要的作用,当碳纳米管和硅基底的羟基比例为10%/20%时,体系能量耗散的主要途径由碳纳米管和硅基底的振动转变为羟基的振动.     

Sonochemical production of a carbon nanotube

Sonochemical production of a carbon nanotube has been studied. The carbon nanotube is produced by applying ultrasound to liquid chlorobenzene with ZnCl₂ particles and to o-dichlorobenzene with ZnCl₂ and Zn particles. It is considered that the polymer and the disordered carbon, which are formed by cavitational collapse in homogeneous liquid, are annealed by the inter-particle collision induced by the turbulent flow and shockwaves.     

多壁碳纳米管束储氢机理的X射线吸收谱研究

采用X射线吸收精细结构光谱探索性地研究了多壁碳纳米管束.在多壁碳纳米管束不同入射角的X射线吸收精细结构光谱中，观察到C—H σ^*共振峰强度随入射角的变化而发生变化.在常温常压下出现C—H键可能与多壁碳纳米管束中存在缺陷有关，缺陷数量越大C—H σ^*共振峰的强度越大.光谱中C—C π^*和C—C σ^*共振峰强度的变化趋势都不同于C—H σ^*共振峰，这有力地证明了在常温常压条件下氢原子是吸附在多壁碳纳米 关键词： X射线吸收精细结构光谱 碳纳米管 储氢 化学吸附     

Understanding the loading dependence of self-diffusion in carbon nanotubes

The influence of flexible walls on the self-diffusion of CH4 in an isolated single walled carbon nanotube, as an example, is studied by molecular dynamics simulations. By simulating the carbon nanotube as a flexible framework we demonstrate that the flexibility has a crucial influence on self-diffusion at low loadings. We show how this influence can be incorporated in a simulation of a rigid nanotube by using a Lowe-Andersen thermostat which works on interface-fluid collisions. The reproduction of the results of a flexible carbon nanotube by a rigid nanotube simulation is excellent.