甲基修饰单壁碳纳米管的几何结构、束缚能和电子结构

采用brenner经验势通过计算甲基吸附在碳纳米管上吸附能的方法找到了甲基修饰单壁碳纳米管最稳定的几何结构，并且发现甲基吸附在单壁碳纳米管上吸附能随着碳纳米管的直径的增加而减少，最后运用从密度泛函紧束缚方法计算了甲基修饰碳纳米管的电子态密度，发现当甲基修饰碳纳米管后，碳纳米管在费米能级附近出现局域态，改变了碳纳米管的光电特性，因此，甲基修饰的单壁碳纳米管有可能成为制造纳米发光元器件重要原材料之一．     

缺陷对单壁碳纳米管电子结构调制的第一性原理计算

用密度泛函理论计算不同浓度点空位缺陷对扶手型和锯齿型碳纳米管电子结构的调制, 并对其键长、 缺陷形成能、 带隙及电子态密度进行分析. 结果表明： 随着缺陷浓度的增加, 邻近碳原子间化学键键长减小, 扶手型碳纳米管带隙打开, 由金属性质变为半导体性质, 锯齿型碳纳米管带隙逐渐变小; 碳原子缺失使缺陷附近未成键的悬键电子局域在Fermi能级附近形成额外的电子态而改变了碳纳米管的电子结构.     

Decoration of activated carbon nanotubes by assembling nano-silver

A facile solution processed strategy of synthesizing nano silver assembled on carbon nanotubes (CNTs) at room temperature was put forward. Activated carbon nanotubes were used as precursors for preparing silver-decorated nanotubes. The nature of the decorated nanotubes was studied using transmission electron microscopy (TEM), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). The inert surfaces of carbon nanotubes were activated by introducing catalytic nuclei via an oxidation-sensitization-activation approach. Activated carbon nanotubes catalyzed the metal deposition specifically onto their surfaces upon immersion in electroless plating baths. The method produced nanotubes decorated with silver. The extent of silver decoration was found to be dependent on fabrication conditions. Dense nano silver assembled on nanotube surfaces could be obtained by keeping a low reaction rate in the solution phase. The results here show that this method is an efficient and simple means of achieving carbon nanotubes being assembled by nano metal.     

Orbital Kondo effect in carbon nanotubes

Progress in the fabrication of nanometre-scale electronic devices is opening new opportunities to uncover deeper aspects of the Kondo effect--a characteristic phenomenon in the physics of strongly correlated electrons. Artificial single-impurity Kondo systems have been realized in various nanostructures, including semiconductor quantum dots, carbon nanotubes and individual molecules. The Kondo effect is usually regarded as a spin-related phenomenon, namely the coherent exchange of the spin between a localized state and a Fermi sea of delocalized electrons. In principle, however, the role of the spin could be replaced by other degrees of freedom, such as an orbital quantum number. Here we show that the unique electronic structure of carbon nanotubes enables the observation of a purely orbital Kondo effect. We use a magnetic field to tune spin-polarized states into orbital degeneracy and conclude that the orbital quantum number is conserved during tunnelling. When orbital and spin degeneracies are present simultaneously, we observe a strongly enhanced Kondo effect, with a multiple splitting of the Kondo resonance at finite field and predicted to obey a so-called SU4 symmetry.     

Effects of Temperature and Catalyst Concentration on the Growth of Aligned Carbon Nanotubes

The effects of preheating and pyrolysis temperatures and catalyst concentration on the synthesis of aligned carbon nanotubes （CNTs） using ferrocene as the catalyst and xylene as the carbon source in chemical vapor deposition were experimentally studied. The as-grown aligned CNTs were characterized by field emission scanning electron microscopy, transmission electronic microscopy, high-resolution transmission electronic microscopy, and Raman spectroscopy. The growth rate, the diameters, and the degree of crystal structure of the aligned CNTs were all found to depend on the preheating and pyrolysis temperatures and the catalyst concentration. The optimized conditions for the growth of aligned CNTs resulted in a rapid growth rate of 20.4 um/min, with the CNTs having a good, uniform crystal structure, and clean surfaces with little amorphous carbon. The results also show that higher preheating temperatures and lower ferrocene concentrations favor the growth of single-walled CNTs.     

六角排列碳纳米管阵列的场增强因子的计算

通过求解Laplace方程得到六角排列的碳纳米管(CNTs)阵列的管尖端电场强度和场增强因子,具体研究CNTs的自身线度、阵列密度及阵列形状对CNTs的场增强因子的影响.研究结果表明,场增强因子随CNTs长径比的增加而增加,对于长径比一定的CNTs阵列,对应着一个最佳阵列密度,如管长为 6 μm、管径分别为5 nm、13 nm、20 nm的CNTs阵列对应的最佳阵列密度为3.05×1011 cm-2、4.83×1010 cm-2、2.12×1010 cm-2.在相同的阵列密度下,六角排列CNTs阵列的场发射性能要优于四方排列的CNTs阵列.计算得到六角排列CNTs阵列上端面的电势分布曲线.     

磷掺杂半导体单壁碳纳米管电子结构的第一性原理研究

采用基于密度泛函理论的第一性原理,研究了掺磷(P)单壁碳纳米管(SWCNT)的电子结构性质.结果表明,引入掺杂原子可显著改变SWCNT费米能级附近的能带结构,掺杂SWCNT的电子态密度(DOS)向低能端移动,其最高分子占据轨道(HOMO)与最低分子非占据轨道(LUMO)间的能隙减小,掺杂的磷原子比碳原子多出的电子更容易从价带向导带跃迁.     

BC2N纳米管的电子态和电学性质

采用ROHF对BC2N纳米管进行构型全优化,并用密度泛函理论的DFT/ROB3LYP方法计算了BC2N纳米管的电子态分布.根据其分子轨道能量数据、电子态分布曲线和成键电子云密度分布图形,研究讨论了掺入硼氮对碳纳米管导电性的影响,并与碳纳米管和硼氮纳米管作了比较.     

二维、三维模型碳纳米管场发射场强计算的比较研究

在计算碳纳米管场发射显示器中电场强度时,为了提高计算效率,许多资料将三维空间的场发射简化为二维模型进行计算,为了比较分析使用二维模型和三维模型计算结果的差异,建立了二维模型单根碳纳米管、三维模型单根碳纳米管和单碳纳米墙3个模型,应用Ansoft Maxwell有限元数值仿真软件进行了仿真,计算结果表明:二维碳纳米管场发射模型的仿真结果代表的三维空间实际情况为碳纳米墙场发射,而不是真正的三维空间碳纳米管场发射。对于单根碳纳米管,用二维模型计算的碳纳米管尖端电场强度仅为三维空间碳纳米管尖端电场强度的1／4。     

Kondo physics in carbon nanotubes

The connection of electrical leads to wire-like molecules is a logical step in the development of molecular electronics, but also allows studies of fundamental physics. For example, metallic carbon nanotubes are quantum wires that have been found to act as one-dimensional quantum dots, Luttinger liquids, proximity-induced superconductors and ballistic and diffusive one-dimensional metals. Here we report that electrically contacted single-walled carbon nanotubes can serve as powerful probes of Kondo physics, demonstrating the universality of the Kondo effect. Arising in the prototypical case from the interaction between a localized impurity magnetic moment and delocalized electrons in a metallic host, the Kondo effect has been used to explain enhanced low-temperature scattering from magnetic impurities in metals, and also occurs in transport through semiconductor quantum dots. The far greater tunability of dots (in our case, nanotubes) compared with atomic impurities renders new classes of Kondo-like effects accessible. Our nanotube devices differ from previous systems in which Kondo effects have been observed, in that they are one-dimensional quantum dots with three-dimensional metal (gold) reservoirs. This allows us to observe Kondo resonances for very large electron numbers (N) in the dot, and approaching the unitary limit (where the transmission reaches its maximum possible value). Moreover, we detect a previously unobserved Kondo effect, occurring for even values of N in a magnetic field.     

Two-dimensional imaging of electronic wavefunctions in carbon nanotubes

The drive towards the development of molecular electronics is placing increasing demands on the level of control that must be exerted on the electronic structure of materials. Proposed device architectures ultimately rely on tuning the interactions between individual electronic states, which amounts to controlling the detailed spatial structure of the electronic wavefunctions in the constituent molecules. Few experimental tools are available to probe this spatial structure directly, and the shapes of molecular wavefunctions are usually only known from theoretical investigations. Here we present scanning tunnelling spectroscopy measurements of the two-dimensional structure of individual wavefunctions in metallic single-walled carbon nanotubes; these measurements reveal spatial patterns that can be directly understood from the electronic structure of a single graphite sheet, and which represent an elegant illustration of Bloch's theorem at the level of individual wavefunctions. We also observe energy-dependent interference patterns in the wavefunctions and exploit these to directly measure the linear electronic dispersion relation of the metallic single-walled carbon nanotube.     

Au-Ag合金纳米管填充碳纳米管特性的第一性原理研究

基于密度泛函理论框架下的第一性原理计算,研究了Au-Ag合金纳米管同轴填充不同线径锯齿型(n, 0)碳纳米管所形成复合系统的稳定性、电子特性和力学性能.结果表明,内、外管间距约为4.20?的Au_xAg_(4-x)@(15, 0)复合系统为具有较大填充率的最稳定结构.能带结构分析表明,相对于自由Au-Ag合金纳米管复合系统的量子电导有所增加,电子态密度分析表明复合系统中的传导电子主要来源于内部Au原子和Ag原子的s电子以及外部C原子的p电子.相对于自由金属纳米管而言,碳纳米管的包裹使得金属纳米管的轴向拉伸临界应变和理想强度大大增加,有效地提高了其力学性能.     

High brightness electron beam from a multi-walled carbon nanotube

Carbon nanotubes can act as electron sources with very rigid structures, making them particularly interesting for use as point electron sources in high-resolution electron-beam instruments. Promising results have been reported with respect to some important requirements for such applications: a stable emitted current and a long lifetime. Two parameters of an electron source affect the resolution of these instruments: the energy spread of the emitted electrons and a parameter called the reduced brightness, which depends on the angular current density and the virtual source size. Several authors have measured a low energy spread associated with electron emission. Here we measure the reduced brightness, and find a value that is more than a factor of ten larger than provided by state-of-the-art electron sources in electron microscopes. In addition, we show that an individual multi-walled carbon nanotube emits most current into a single narrow beam. On the basis of these results, we expect that carbon nanotube electron sources will lead to a significant improvement in the performance of high-resolution electron-beam instruments.     

Co-Pd纳米管阵列的制备及其磁特性

用直流电化学沉积方法,通过改变沉积电压,在多孔阳极氧化铝(AAO)模板中制备了Co-Pd合金纳米管阵列,分别用扫描电镜(SEM)和振动样品磁强计(VSM)对样品的形貌和磁学性质进行了测试.SEM结果显示,纳米管阵列均匀有序;样品磁性测试结果表明,外场垂直于纳米管轴时的剩磁比(Mr/Ms)比外场平行于纳米管时的剩磁比大,且矫顽力(Hc)随着Co含量的增加而增加.在真空500 ℃退火后,样品矫顽力有明显增大.     

Patterned deposition of multi-walled carbon nanotubes on self-assembled monolayers

The excellent electro-mechanical properties and chemical stability of CNTs promise a prospective ap- plications in nanotechnology. For electronic applica- tions, CNTs have been proved successful in practice in producing components such as a junction and f…     

Single-shot read-out of an individual electron spin in a quantum dot

Spin is a fundamental property of all elementary particles. Classically it can be viewed as a tiny magnetic moment, but a measurement of an electron spin along the direction of an external magnetic field can have only two outcomes: parallel or anti-parallel to the field. This discreteness reflects the quantum mechanical nature of spin. Ensembles of many spins have found diverse applications ranging from magnetic resonance imaging to magneto-electronic devices, while individual spins are considered as carriers for quantum information. Read-out of single spin states has been achieved using optical techniques, and is within reach of magnetic resonance force microscopy. However, electrical read-out of single spins has so far remained elusive. Here we demonstrate electrical single-shot measurement of the state of an individual electron spin in a semiconductor quantum dot. We use spin-to-charge conversion of a single electron confined in the dot, and detect the single-electron charge using a quantum point contact; the spin measurement visibility is approximately 65%. Furthermore, we observe very long single-spin energy relaxation times (up to approximately 0.85 ms at a magnetic field of 8 T), which are encouraging for the use of electron spins as carriers of quantum information.     

碳纳米管负载Ni催化剂制备碳纳米管的研究

将硝酸回流预处理过的碳纳米管载体直接浸入镀Ni溶液中,通过化学镀在其表面上沉积出Ni纳米颗粒,并将所制备的Ni/CNTs催化剂用于制备新的高纯度碳纳米管.实验结果表明,碳纳米管载体的酸预处理时间对Ni/CNTs催化剂在碳纳米管制备过程中的催化性能有很大的影响,从而影响所制备的碳纳米管的形态.当碳纳米管载体在稀硝酸中回流预处理0.5 h后,所对应的Ni/CNTs催化剂催化制备的碳纳米管存在严重的缺陷,其主要结构为竹节状和鱼骨型,同时部分碳纳米管在生长过程中分叉,成Y形结构;当碳纳米管载体经稀硝酸回流预处理6 h后,其对应的Ni/CNTs催化剂催化生长的碳纳米管粉体中,碳纳米管的形态均匀,中空,无任何隔膜,因此碳纳米管载体较长时间的酸回流预处理对催化剂的性能有明显的改善.而且相比纯的纳米Ni,Co以及Ni/SiQ2催化剂,Ni/CNTs催化剂在碳纳米管的制备过程中,具有更高的催化活性.     

Carbon Nanotubes:from Nanoscale Building Blocks to Macrostructures

1 Results Carbon nanotubes (CNTs) have fascinating properties.In order to use these novel one-dimensional structures for applications such as in nano-electronic,nano-mechanical and electrochemical energy storage device and as structural elements in various composites,the structure of nanotubes needs to be tailored and various architectures and macroscale assembles have to be configured using nanotube building blocks.Nanotube macrostructures are macroscopically organized groups of CNTs,which are expecte...     

多缺陷碳纳米管的制备及其光催化性能研究

低温合成的碳纳米管在纯化后进行高温煅烧(真空),X射线光电子能谱(XPS)和比表面积(BET)分析显示,O/C原子比下降,比表面积增大.拉曼光谱和透射电子显微镜(TEM)进一步证实,该热处理的碳管呈现较多的缺陷.光催化测试显示此种多缺陷碳管具有明显的光催化性能.这主要是因为,大部分化学吸附的氧原子将被解吸,很容易使局部晶格重新排布,形成大量的拓扑学缺陷和空位缺陷.由此在碳管的能隙间形成缺陷态能级,以致可以被可见光激发,即表现出光催化特性.