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.     

Piezoresistive Effect of Doped carbon Nanotube／Cellulose Films

The strain-induced resistance changes in iodine-doped and undoped carbon nanotube films were investigated by a three-point bending test. Carbon nanotubes were fabricated by hot filament chemical vapour deposition. The experimental results showed that there has a striking piezoresistive effect in carbon nanotube films. The gauge factor for I-doped and undoped carbon nanotube films under 500 microstrain was about 125 and 65 respectively at room temperature, exceeding that of polycrystalline silicon (30) at 35℃. The origin of the piezoresistivity in the films may be ascribed to a strain-induced change in the band gap for the doped tubes and to the intertube contact resistance for the undoped tubes.     

Electronic and magnetic properties of CrI_3 nanoribbons and nanotubes

CrI_3 in two-dimensional(2D) forms has been attracting much attention lately due to its novel magnetic properties at atomic large scale.The size and edge tuning of electronic and magnetic properties for 2D materials has been a promising way to broaden or even enhance their utility, as the case with nanoribbons/nanotubes in graphene, black phosphorus, and transition metal dichalcogenides.Here we studied the CrI_3 nanoribbon(NR) and nanotube(NT) systematically to seek the possible size and edge control of the electronic and magnetic properties.We find that ferromagnetic ordering is stable in all the NR and NT structures of interest.An enhancement of the Curie temperature T_C can be expected when the structure goes to NR or NT from its 2D counterpart.The energy difference between the FM and AFM states can be even improved by up to 3–4 times in a zigzag nanoribbon(ZZNR), largely because of the electronic instability arising from a large density of states of iodine-5p orbitals at E_F.In NT structures, shrinking the tube size harvests an enhancement of spin moment by up to 4%, due to the reduced crystal-field gap and the re-balance between the spin majority and minority populations.     

Electronic transport properties of metallic single-walled carbon nanotubes

We have calculated the differential conductance of metallic carbon nanotubes by the scatter matrix methon.It is found that the differential conductance of metallic nanotube-based devices oscillates as a function of the bias voltage between the two leads and the gate voltage.Oscillation period T is directly proportional to the reciprocal of nanotube length.In addition,we found that electronic transport properties are sensitive to variation of the length of the nanotube.     

Polythiophene encapsulated inside(13, 0) CNT: A nano-hybrid system

We present a first-principles calculation on the electronic and optical properties of a hybrid nanotube system consisting of a （13, 0） single-walled carbon nanotube encapsulated by polythiophene. This hybrid-system represents a complete new type of matter and is known as the peapod system. We analyze bow the polythiophene changes the electronic and optical properties of the nanotube. In particular, we examine new features in the dielectric function due to the transitions between the states of the polymer and the nanotube. The electronic structure of the combined system appears to be a simple superposition of the individual constituents. The density functional theory calculations demonstrate van der Waals interaction as the bonding mechanism between the tube and the encapsulated molecule.     

Electromagnetic scattering of the carbon nanotubes excited by an electric line source

An analytical solution is presented for the electromagnetic scattering from an infinite-length metallic carbon nanotube and a carbon nanotube bundle.The scattering field and scattering cross section are predicted using a modal technique based on a Bessel and Hankel function for the electric line source and a quantum conductance function for the carbon nanotube.For the particular case of an isolated armchair (10,10) carbon nanotube,the scattered field predicted from this technique is in excellent agreement with the measured result.Furthermore,the analysis indicates that the scattering pattern of an isolated carbon nanotube differs from that of the carbon nanotube bundle of identical index (m,n) metallic carbon nanotubes.     

Spin-Filter Effect Induced by Magnetic Edge States of Zigzag Carbon Nanotube

Spin-filter effect is predicted in a weak coupled junction composed of a nonmagnetic metal electrode and a zigzag carbon nanotube. This effect is induced by the magnetic edge states of the nanotube, and can produce spin- polarized current in the absence of an external magnetic field. We find that the spin polarization of the current changes its sign at the half-filling point of the nanotube, thus electric field control of spin transport can be realized. Furthermore, we find the coupling strength of the junction may cause a magnetic transition on the edge of the nanotube.     

Hopping Conductivity in a Single-Walled Carbon Nanotube Network

We investigate the resistance and magnetoresistance （MR） of an entangled single-walled carbon nanotube （SWNT） network. The temperature dependence of conductance is fitted by formula G（T） = Go exp[-（To/T）^1/2] with To = 15.8 K at a wide temperature range from 4 K to 300K. The MR defined by [R（T, H） - R（T, 0）]/ R（T, 0） as a function of temperature and magnetic field perpendicular to the tube axis is negative at low temperatures. The MR amplitude increases as the temperature decreases at relative high temperature, but becomes decrease when temperature below 4 K. The results are explained in terms of the coherent hopping of carriers in the presence of a Coulomb gap at low temperature.     

Formation and evolution mechanisms of large-clusters during rapid solidification process of liquid metal Al

A molecular dynamics simulation study has been performed for the formation and evolution characteristics of nano-clusters in a large-scale system consisting of 400000 atoms of liquid metal Al. The center-atom method combined with pair-bond analysis technique and cluster-type index method (CTIM) has been applied here to describe the structural configurations of various basic clusters. It is demonstrated that both the 1551 bond-type and the icosahedral cluster (12 0 12 0) constructed by 1551 bond-types are dominant among all the bond-types and cluster-types, respectively, in the system and play a critical role in the microstructure transitions of liquid metal Al. The nano-clusters (containing up to 150 atoms) are formed by the combination of some middle and small clusters with distinctly different sizes, through mutual competition by unceasing annex and evolution in a seesaw manner (in turn of obtaining and losing), which do not occur as the multi-shell structures accumulated with an atom as the center and     

Electrical Resistance Measurement of an Individual Carbon Nanotube

Aiming at the difficulty in the electrical resistance measurement, we develop a simple statistical model for the carbon nanotubes adequately dispersed in available insulated liquid and introduce the concept of “the most probability”. Based on this model, we obtain the function between macroscopic resistance R and resistance of an individual nanotube, Ro, from which one can calculate the resistance of an individual nanotube by measuring the macroscopic resistance. By computational simulation, we prove the reliability of the model. Then, we analyse the feasibility of the model when applied to experiment.     

Magnetization Reversal Mechanism for CoFeB Ferromagnetic Nanotube Arrays

CoFeB nanotube arrays are fabricated in anodic aluminum oxide （AAO） membranes and track etched polycarbonate （PCTE） membranes by using an electrochemical method, and their magnetic properties are investigated by vibrating sample magnetometry. The coercivity Hc and remanent squareness SQ of these CoFeB nanotube arrays are derived from hysteresis loops as a function of angle between the field and tube axis, The He（8） curves for CoFeB nanotube arrays in AAO and PCTE membranes show M-type variation, while they change shape from M to mountain-type as the tube length increases. However, the overall easy axis perpendicular to tube axis does not change with tube length. The different angular dependences are attributed to different magnetization reversal mechanisms.     

The Turn Over of the Odd-even Pattern in Mass Spectra of Carbon Cluster Anions

Although investigations by many authorsd on the properties of carbon cluster anions by mass spectrometry and photoelectron spectroscopy last more than a decade[1～3], a general conclusion concerning the various features of the carbon clusters generated most commonly in laser vaporization/molecular beam sources has not yet been reached. In this Letter we report that the turn-over of the odd-even patter in relative abundance in the mass spectra of carbon clusters and the "manipulation" of the pattern can be realized in a controlled way by altering the vaporizing laser intensity, the backing pressure and the conductance of carries gas.     

Stability of conductance oscillations in carbon atomic chains

The conductance stabilities of carbon atomic chains(CACs) with different lengths are investigated by performing theoretical calculations using the nonequilibrium Green's function method combined with density functional theory.Regular even–odd conductance oscillation is observed as a function of the wire length.This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads.The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel,whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance toward higher energies is observed as the number of carbon atoms increases.The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads.Results show that the current–voltage evolution of CACs can be affected by the chain length.The differential and second derivatives of the conductance are also provided.     

The effects of static magnetic field on microwave absorption of hydrogen plasma in carbon nanotubes: A numerical study

We theoretically investigate the microwave absorption properties of hydrogen plasma in iron-catalyzed highpressure disproportionation-grown carbon nanotubes under an external static magnetic field in the frequency range 0.3 GHz to 30 GHz, using the Maxwell equations in conjunction with a general expression for the effective complex permittivity of magnetized plasma known as the Appleton–Hartree formula. The effects of the external static magnetic field intensity and the incident microwave propagation direction on the microwave absorption of hydrogen plasma in CNTs are studied in detail. The numerical results indicate that the microwave absorption properties of hydrogen plasma in iron-catalyzed high-pressure disproportionation-grown carbon nanotubes can be obviously improved when the external static magnetic field is applied to the material. It is found that the specified frequency microwave can be strongly absorbed by the hydrogen plasma in iron-catalyzed high-pressure disproportionation-grown carbon nanotubes over a wide range of incidence angles by adjusting the external magnetic field intensity and the parameters of the hydrogen plasma.     

Nodular Carbon Nanotubes and Their Field Emission Characteristics

A new configuration of carbon namotubes(CNTs) has been discovered in our laboratory and their surfaces are fully covered with nano-sized node-like structures.The node structures have almost the same size of 40-50nm.We refer to this material as the nodular carbon nanotube (NCNT).Field emission scanning electron microscopy shows that after a hydrogen plasma process in our homemade plasma equipment,the common carbon nanotubes were changed into NCNTs.The experimental result demonstrates that this material has good field emission characteristics,low threshold field,stable and suitable emitting surrent,especdially for the emission site density up to the order of 10^6cm^-2.     

Luminescence from Tube-Arrest Bubbles in Pure Glycerin

Single transient cavitation bubble with luminescence has been generated in pure glycerin by using the ‘tube arrest‘ method. The analyses of high-speed photograph and light emission data suggest that the light emission would be a single bubble sonoluminescence. The luminescence pulse width is observed to vary from sub-nanosecond to about 30 ns. The width and intensity of luminescence pulses increases with the height of the liquid column height and decreases with the liquid temperature.     

First-Principles Study of Li Doping in a Double-Wall Carbon Nanotube

By performing first-principles calculations, we study Li doping in a double-wall carbon nanotube where a （5,0） tube is confined inside a （14,0） tube. There are three possible sites for Li doping and two of them are energetically favorable. The change of energy band structure is closely related to the doping sites and the charge transfer is investigated. Bader charge analysis indicates that Li prefers to donate its electron to the inner （5,0） tube. Moreover, the Li capacity of the system can reach LIC4.75 which makes it a promising candidate for Li-ion battery materials.     

Quantum Effect in Mesoscopic Open Electron Resonator

The open electron resonator is a mesoscopic device that has attracted considerable attention due to its remarkable behavior： conductance oscillations. In this paper, using an improved quantum theory to mesoscopic circuits developed recently by Li and Chen, the mesoscopic electron resonator is quantized based on the fundamental fact that the electric charge takes discrete value. With presentation transformation and unitary transformation, the SchrSdinger equation becomes an standard Mathieu equation. Then, the detailed energy spectrum and wave functions in the system axe obtained, which will be helpful to the observation of other characters of electron resonator. The average of currents and square of the current are calculated, the results show the existence of the current fluctuation, which causes the noise in the circuits, the influence of inductance to the noise is discussed. With the results achieved, the stability characters of mesoscopic electron resonator are studied firstly, these works would be benefit to the design and control of integrate circuit.     

Asymmetry of the water flux induced by the deformation of a nanotube

The behavior of nano-confined water is expected to be fundamentally different from the behavior of bulk water.At the nanoscale,it is still unclear whether water flows more easily along the convergent direction or the divergent one,and whether a hourglass shape is more convenient than a funnel shape for water molecules to pass through a nanotube.Here,we present an approach to explore these questions by changing the deformation position of a carbon nanotube.The results of our molecular dynamics simulation indicate that the water flux through the nanotube changes significantly when the deformation position moves away from the middle region of the tube.Different from the macroscopic level,we find water flux asymmetry(water flows more easily along the convergent direction than along the divergent one),which plays a key role in a nano water pump driven by a ratchet-like mechanism.We explore the mechanism and calculate the water flux by means of the Fokker-Planck equation and find that our theoretical results are well consistent with the simulation results.Furthermore,the simulation results demonstrate that the effect of deformation location on the water flux will be reduced when the diameter of the nanochannel increases.These findings are helpful for devising water transporters or filters based on carbon nanotubes and understanding the molecular mechanism of biological channels.     

A general surface-treatment-free approach to fabrication of alignment layers using a super-aligned carbon nanotube film template

<正>We develop a general approach to the fabrication of films with unidirectional grooves,such as silicon nitride, silicon dioxide and aluminium oxide,in which the surface is not required to be treated.Super-aligned carbon nanotube (SACNT) film may be used as a template and as sacrificial layer,which is subsequently removed by heating in an atmosphere of air.The unidirectional morphology of the SACNT film turns into a desired film,which is found to possess the ability to align liquid crystal molecules.This approach also features high efficiency,low cost and easy scaling-up for mass production.