Ar^＋离子辐照对碳纳米管电子结构的影响

应用ＸＰＳ和ＡＥＳ研究了碳纳米管结构稳定性，结果表明：低能电子束辐照不会改变碳纳米管的电子结构；相反，低能Ａｒ＾＋离子束即使辐照强度低剂０．２ｍＡ／ｃｍ＾２，也会引起碳纳米管电子结构的明显变化。     

超长定向碳纳米管列阵的制备

利用化学气相沉积方法,成功地制备出长度达２ｍｍ的超长定向碳纳米管列阵,该超长碳人米管的长度经现有碳纳米管的长度高１－２个数量级。     

碳纳米管研究的最新进展

文章简要地介绍了碳纳米管新型准一维功能材料在量子输运、力学性质和制备技术方面的研究进展，特别介绍了制备出２—３ｍｍ长的碳纳米管的最新研究成果．     

对电弧放电制备的离散碳纳米管进行高温氧化的研究

用改进的电弧放电方法制备了大量离散分布的碳纳米管.对此种碳纳米管样品在空气中进行了高温氧化处理，研究表明此种碳纳米管能够在较高温度和较长时间的氧化处理后仍能保存下来.离散分布的碳纳米管可在一定程度上减少其结构中的缺陷和不完整性，因而提高了纳米管在氧化处理过程中的稳定性.这一观点得到了Raman研究结果的支持.     

乙醇水混合物在碳纳米管中的吸附与结构性质

用分子动力学模拟研究乙醇水混合物在碳纳米管中的结构与吸附．在(6,6)到(10,10)碳纳米管内,几乎总是充满乙醇分子,很少有水分子．在更粗的碳纳米管中有一些水分子,管内的乙醇质量分数远远高于体相值．对管内外的分子进行了径向、轴向、角向的密度和取向的分布以及氢键数目的分析．管外第一溶剂化层中分子的角向密度分布指出乙醇分子的甲基和碳壁有最强的作用,被钉扎在碳纳米管的六角形中心位置．基于对这些现象微观机制的理解,推测碳纳米管在甲醇和乙醇中更倾向吸附乙醇,通过对乙醇甲醇混合物与碳纳米管的分子动力学模拟验证了这个预测．     

碳纳米管的热解法制备、电子显微镜观察及拉曼光谱研究

以二茂铁和二甲苯为原料在Ar和H2 气氛中不同温度下热解制备出了不同直径分布的碳纳米管。在 740℃、780℃、82 0℃和 880℃下制备出的碳纳米管的外径分布分别为 1 7-80nm、2 0 - 73nm、40 - 70nm、1 7- 2 7nm。拉曼光谱和透射电子显微镜 (TEM )观察表明 ,在82 0℃下制备的碳纳米管晶形最完整     

基于碳纳米管分子封装的一维电子波函数扫描

利用第一性原理,设计并研究了一类基于单臂碳纳米管的分子封装的分子体系．计算表明,半环葫芦脲类化合物可有效封装碳纳米管,引入微弱的分子间相互作用,对碳纳米管的电子态能级结构分布 仅带来微弱影响．半环葫芦脲分子与碳纳米管在管径方向的一维电子态波函数充分耦合,进而有效改变了一些前沿分子轨道的波函数在管径两头的分布以及相应的电子布居浓度．基于电子输运的模拟,发现半环葫芦脲分子在碳纳米管一维方向滑动时的某个电压下的电导变化可准确反映电子态波函数在相应分子导电通道上的一维分布信息．     

对电弧放电制备的离散碳纳米管进行了高温氧化的研究

用改进的电弧放电方法制备了大量离散分布的碳纳 ，对此种碳纳米管样品在空气中进行了高温氧化处理，研究表明此种碳纳米管能够在较高温度和较长时间的氧化处理后仍能保存下来，离散分布的碳纳米管可在一定程度上减少其结构中的缺陷和不完整性，因而提高了纳在氧化处理过程中的稳定性，这一观点得到了Ｒａｍａｎ研究结果的支持。     

重频激光对多壁碳纳米管悬浮液光限幅特性的影响研究

在激光以不同重复频率入射下,研究了直径分布为10～20 nm的多壁碳纳米管悬浮液对波长为1064 nm激光的光限幅效应,定性分析了不同重复频率激光对多壁碳纳米管悬浮液的光限幅影响。结果表明:碳纳米管悬浮液对波长为532 nm和1064 nm的激光都具有很强的光限幅响应;在多脉冲激光入射时,碳纳米管悬浮液的光限幅效应比单脉冲激光入射时更显著。     

形变碳纳米管中水的输运行为研究

水分子通过碳纳米管的运输行为对认识生命的新陈代谢活动、海水淡化和纳米运输器件有着重要的参考作用.本文通过分子动力学的方法研究了水分子通过形变碳纳米管的运输行为,即椭圆柱状碳纳米管的离心率e对管内水分子输运的影响.结果发现椭圆柱状碳纳米管的离心率对管内水分子的偶极矩概率分布、径向函数分布和流量有重要的影响作用.分析认为碳纳米管的形变使管内水分子的偶极矩态及其运输状态发生变化;同时也发现在一定范围内通过改变碳纳米管的形状能起到分子开关的作用.     

A symmetry-adapted force-constant lattice-dynamical model for single-walled carbon nanotubes

We develop a lattice-dynamical model based on the screw symmetry of single-walled carbon nanotubes that allows for reducing the size of the dynamical matrix to six, for all tube chiralities. The model uses force constants derived from fitting to the phonon dispersion of 2D graphite. We present the calculation procedure in a clear and transparent way, making the model easier to follow. We calculate the phonon dispersions of a number of nanotubes of different chiralities. The splitting of two highest Raman active modes and the radial breathing mode frequency are studied by changing the tube diameter and chirality.     

单壁手性碳纳米管Γ点E1和E2振动模式

在卷曲法计算得到的单壁碳纳米管12个非简并的本征频率与手性和管径关系的基础上，继续讨论了简并的本征频率中E₁和E₂的振动模式，以及其频率与手性和管径的关系. 关键词： 单壁碳纳米管 手性管 振动模式.     

Discontinuous tangential stress in double wall carbon nanotubes

We have examined the stability of double wall carbon nanotubes under hydrostatic pressures up to 10 GPa. The tangential optical phonon mode observed by inelastic light scattering is sensitive to the in-plane stress and splits into a contribution associated with the external and internal tube. While the pressure coefficient from the external tube is the same as in single wall carbon nanotubes, the pressure coefficient from the internal tube is found to be 45% smaller. The phonon band from the external tube broadens considerably with applied pressure in contrast with the phonon band of the internal tube which stays constant. These pressure dependent phonon shifts of the external and internal tubes and the contrasting phonon line broadening are explained by the elastic continuum shell model which takes into account both the continuous radial and discontinuous tangential stress components.     

Phonon spectrum of double-wall carbon nanotubes

The results of studying the phonon spectra of carbon nanotubes within the framework of the periodic-cluster model are presented. Special attention is paid to the phonon spectrum of double-wall nanotubes. It is shown that the spectrum is separated into two subbands corresponding to the acoustic and optical vibrational modes. A specific feature of the phonon dispersion curves is their “doublet” character. The spectrum has an acoustic mode corresponding to longitudinal oscillations of the two walls of a double-wall carbon nanotube with respect to each other.     

Phonon anharmonicities in graphite and graphene

We determine from first principles the finite-temperature properties-linewidths, line shifts, and lifetimes-of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the Raman-active E(2g) mode is found to decrease with temperature; such anomalous behavior is driven entirely by electron-phonon interactions, and does not appear in the nearly degenerate infrared-active E(1u) mode. In graphene, the phonon anharmonic lifetimes and decay channels of the A(1)' mode at K dominate over E(2g) at Gamma and couple strongly with acoustic phonons, highlighting how ballistic transport in carbon-based interconnects requires careful engineering of phonon decays and thermalization.     

Synthesis of nitrogen-doped single-walled carbon nanotubes and monitoring of doping by Raman spectroscopy

Nitrogen-doped single-walled carbon nanotubes （CNx-SWNTs） with tunable dopant concentrations were synthesized by chemical vapor deposition （CVD）, and their structure and elemental composition were characterized by using transmission electron microscopy （TEM） in combination with electron energy loss spectroscopy （EELS）. By comparing the Raman spectra of pristine and doped nanotubes, we observed the doping-induced Raman G band phonon stiffening and 2D band phonon softening, both of which reflect doping-induced renormalization of the electron and phonon energies in the nan- otubes and behave as expected in accord with the n-type doping effect. On the basis of first principles calculations of the distribution of delocalized carrier density in both the pristine and doped nanotubes, we show how the n-type doping occurs when nitrogen heteroatoms are substitutionally incorporated into the honeycomb tube-shell carbon lattice.     

Raman spectroscopic evidence for hot-phonon generation in electrically biased carbon nanotubes

We provide spectroscopic evidence for hot-phonon generation in biased single-walled carbon nanotubes by measuring simultaneously the Stokes and anti-Stokes Raman lines of the G mode and of the radial-breathing mode as a function of current bias. Using Bose-Einstein statistics we can directly calculate the phonon temperature from the intensity ratio of the anti-Stokes to Stokes lines. Upon nanotube biasing we observe (i) an increase of the G mode phonon temperature in contrast to the radial-breathing mode phonons that remain thermalized at room temperature, and (ii) no softening of the G mode. Based on these observations, we exclude current-induced thermal heating of the nanotube.     

High-energy phonon branches of an individual metallic carbon nanotube

We present excitation-energy dependent Raman measurements between 2.05 and 2.41 eV on the same individual carbon nanotube. We find a change in the Raman frequencies of both the D mode (63 cm(-1)/eV) and the high-energy modes. The observed frequencies of the modes at approximately 1600 cm(-1) as a function of laser-energy map the phonon dispersion relation of a metallic tube near the Gamma point of the Brillouin zone. Our results prove the entire first-order Raman spectrum in single-wall carbon nanotubes to originate from double-resonant scattering. Moreover, we confirm experimentally the phonon softening in metallic tubes by a Peierls-like mechanism.     

Universality and diversity in a phonon-transmission histogram of isotope-disordered carbon nanotubes

Universal fluctuations in phonon transmission and other features of phonon-transmission histograms are investigated by performing numerical simulations of coherent-phonon transport in isotope-disordered carbon nanotubes. Interestingly, the phonon-transmission fluctuation in the diffusive regime is universal, irrespective of the average phonon transmission, the tube chirality, and the concentrations, and masses of isotopes. We also find that the histogram, which has a Gaussian distribution in the diffusive regime, has a log-normal distribution in the localization regime.