Comparative study of electrochemical capacitance of multi-walled carbon nanotubes before and after chopping

In the work, short multi-walled carbon nanotubes (S-CNTs) were synthesized by chopping conventional μm-long multi-walled carbon nanotubes (L-CNTs) under ultrasonication in H₂SO₄/HNO₃ mixed acids. A comparative electrochemical investigation performed in 6 M KOH solution demonstrated that a specific capacitance (SC) of ca. 14.6 μF cm⁻² was delivered by the S-CNTs with the specific surface area (SSA) of 207 m² g⁻¹, much larger than that of ca. 10.1 μF cm⁻² for the L-CNTs with the SSA of 223 m² g⁻¹, the reason for which was that S-CNTs with two open ends, due to good ion penetrability, provided more entrances for electrolyte ions to access the inner surface easily through their shorter inner pathway so as to enhance their SSA utilization and geometric SC. The surface structure disruption of S-CNTs, owing to ultrasonication and oxidation during chopping process, deteriorated their electronic conductivity and resulted in an inferior power property in contrast to L-CNTs.     

Different mechanism of capacitance change for gas detection using semiconducting and metallic single-walled carbon nanotubes

Semiconducting single-walled carbon nanotubes (s-SWCNTs) with lower absorption energy of NO₂ gas exhibited higher sensitivity than metallic SWCNTs. The result originated from quantum capacitance of s-SWCNTs, which was readily affected by charge transfer, whereas that of m-SWCNTs showed no change with even more transferred charges. However, m-SWCNT that were aligned polarize adsorbed gases on the surface by a local field that contributed the capacitance changes of m-SWCNT networks. This is a newly introduced detection mechanism of gas sensing using m-SWCNTs.     

Preparation and luminescence study of Eu(III) titanate nanotubes and nanowires using carbon nanotubes as removable templates

Eu(III) titanate nanotubes and nanowires have been successfully synthesized by solvothermal method using carbon nanotubes (CNTs) as removable templates. The products were characterized by X-ray diffraction spectroscopy, transmission electron microscopy, energy-dispersive X-ray spectrometry, thermogravimetric and differential thermal analysis. It is demonstrated that CNTs are fully coated with an amorphous Eu₂(TiO₃)₃ layer, which is about 10 nm thick and almost continuous and uniform. After the Eu₂(TiO₃)₃/CNTs composites have been calcined at various temperatures, Eu₂(TiO₃)₃ nanotubes and nanowires are obtained by removing the CNTs templates. The diameter of the Eu₂(TiO₃)₃ nanotubes is 40–60 nm, which is consistent with that of CNTs. Both nanotubes and nanowires have a narrow distribution of diameters. The fluorescence properties of the Eu₂(TiO₃)₃ nanotubes and nanowires calcined at various temperatures have been investigated. The results indicate that when the Eu₂(TiO₃)₃/CNTs composites were calcined at 700 °C for 5 h, the Eu₂(TiO₃)₃ nanotubes obtained can be effectively excited by 395 nm light, and exhibit strong red emission around 616 nm. It is very interesting to discover that a few residual carbons doped in Eu₂(TiO₃)₃ nanotubes and many oxygen vacancies could promote the intensity of red emission peak of Eu³⁺ ions. In addition, Eu₂(TiO₃)₃ nanowires calcined at 900 °C for 5 h also have a strong red emission peak due to many oxygen vacancies and defects formed on the surface of the nanowires and inside them.     

Effect of metal oxide and oxygen on the growth of single-walled carbon nanotubes by electric arc discharge

The effect of oxygen on the growth of single-walled carbon nanotubes was studied with Ni–Co alloy powder as catalyst under helium atmosphere of 500 Torr by electric arc discharge. The oxygen included in nickel or (and) cobalt oxides was added in catalyst. The content of oxygen in atmosphere was controlled by changing vacuum degree inside furnace before inputting buffer gas. The examinations of TEM and Raman scattering showed that oxygen in metal oxide as catalyst promotes the nucleation of SWCNT by taking effect on the metal catalyst particles. However, O₂ in atmosphere has the role of oxidizing amorphous particles along with nanotubes. When its molar proportion is higher than 0.22 ppm (Parts per million), the carbon nanotubes produced are oxidized and their purity decreases. The diameter of single-walled carbon nanotube obtained under different condition has a narrow distribution around 1.28 nm.     

Oscillation of nested fullerenes (carbon onions) in carbon nanotubes

Nested spherical fullerenes, which are sometimes referred to as carbon onions, of I _h symmetries which have N(n) carbon atoms in the nth shell given by N(n) = 60n ² are studied in this paper. The continuum approximation together with the Lennard-Jones potential is utilized to determine the resultant potential energy. High frequency nanoscale oscillators or gigahertz oscillators created from fullerenes and both single- and multi-walled carbon nanotubes have attracted much attention for a number of proposed applications, such as ultra-fast optical filters and ultra-sensitive nano-antennae that might impact on the development of computing and signalling nano-devices. Further, it is only at the nanoscale where such gigahertz frequencies can be achieved. This paper focuses on the interaction of nested fullerenes and the mechanics of such molecules oscillating in carbon nanotubes. Here we investigate such issues as the acceptance condition for nested fullerenes into carbon nanotubes, the total force and energy of the nested fullerenes, and the velocity and gigahertz frequency of the oscillating molecule. In particular, optimum nanotube radii are determined for which nested fullerenes oscillate at maximum velocity and frequency, which will be of considerable benefit for the design of future nano-oscillating devices.     

(BN)25团簇的结构与性能

采用密度泛函理论的杂化密度泛函（B3LYP）方法,在6-31G （d）基组水平上,对（BN）₂₅团簇进行结构优化和频率计算,得到基态构型,并对其稳定性、自然键轨道（NBO）、振动光谱和NICS进行计算.结果表明：（BN）₂₅团簇的能隙值较高,具有良好的化学稳定性;B原子和N原子的内部及原子之间都会发生s、p轨道杂化,原子之间有少量电荷转移;（BN）₂₅团簇的红外光谱和拉曼光谱都有较多振动峰;（BN）₂₅团簇具有芳香性.     

The growth of carbon nanotubes on montmorillonite and zeolite (clinoptilolite)

Synthesis of carbon nanotubes described in the present work is based on activation of methane in a hot filament CVD reactor and subsequent creation of nanostructures on a catalyst pre-treated polished surface of silicon. An essential step of the synthesis is the use of natural minerals as catalysts. We have studied the catalyst parameters, the way of its application and the amount of Fe³⁺ cations on the surface of aluminosilicates on the quality of the grown nanotube layers. The growth of carbon nanotubes catalyzed by montmorillonite and zeolite (clinoptilolite) was confirmed by scanning electron microscopy and Raman spectroscopy.     

The growth of multi-walled carbon nanotubes on natural clay minerals (kaolinite, nontronite and sepiolite)

The suitability of clay minerals - kaolinite, nontronite and sepiolite - is studied for synthesis of nanocomposites based on carbon nanotubes. Particles of iron were used as catalysts. Prior to synthesis, kaolinite and sepiolite were doped by the catalytically active metal, whereas in the case of nontronite the presence was used of this metal in the matrix of this mineral. Synthesis of CNTs was performed by hot filament chemical vapor deposition method. The produced nanocomposites were examined by transmission and scanning electron microscopies and energy dispersive X-ray spectroscopy. The experiment verified the potential of the three microcrystalline phyllosilicates for the growth of carbon nanotubes. Under the same technology conditions, the type of catalyst carrier affects the morphology and structure of the nanotube product markedly.     

Magnetic properties and electronic structures of hcp Fe,Co and Ni nanowires encapsulated in a zigzag (12,0) BN nanotube

The magnetic properties and electronic structures of ferromagnetic nanowires (FM=Fe, Co and Ni) encapsulated inside a zigzag (12,0) boron nitride nanotube (BNNT) are investigated by first-principle calculations. The relaxed geometry structures of FM/BNNT systems have only slightly changed. Formation energy analysis shows that the combining processes of Co/BNNT and Ni/BNNT systems are exothermic, and therefore the Co and Ni nanowires can be encapsulated into a semiconducting zigzag (12,0) BNNT and form stable hybrid structures. The charges are transferred from ferromagnetic nanowires to more electronegative BNNTs, and the formed FM–N bonds have covalent bond characteristics. The magnetic moments of FM/BNNT systems are smaller than those of the freestanding ferromagnetic nanowires, especially for the atoms on the outermost shell of the nanowires. The stable FM/BNNT systems exhibit higher magnetic moments, which can be useful for a wide variety of next-generation nanoelectronic device components.     

Hydrothermal conversion of graphite to carbon nanotubes (CNTs) induced by bubble collapse

Cu–Fe–CNTs and Ni–Fe–CNTs coatings were deposited on gray cast iron by a hydrothermal approach. It was demonstrated that, the flaky graphite of gray cast iron was exfoliated to graphene nanosheets under hydrothermal reactions, and graphene nanosheets were scrolled to CNTs. After high temperature treatments, the volume losses of Cu–Fe–CNTs and Ni–Fe–CNTs coatings were 52.6 % and 40.0 % of gray cast iron substrate at 60 min wear tests, respectively, obviously increasing the wear properties of gray cast iron. During hydrothermal reactions, water jets and shock waves were produced by bubble collapse. Induced by the water jets and shock waves, exfoliation of flaky graphite was performed, producing exfoliated graphene nanosheets. Attacked by the radially distributed water jets and shock waves, graphene nanosheets were curved, shaped to semicircle morphology and eventually scrolled to tubular CNTs.     

Molecular dynamics of reactions between (4,0) zigzag carbon nanotube and hydrogen peroxide under extreme conditions

ABSTRACT

Single-wall carbon nanotubes (CNTs) have been suggested as potential materials for use in next-generation gas sensors. The sidewall functionalisation of CNTs facilitates gas molecule adsorption. In this study, density functional theory (DFT)-based ab initio molecular dynamics simulations are performed for a periodic zigzag single-wall (4,0) CNT surrounded by a monolayer of hydrogen peroxide molecules in an attempt to find conditions that favour sidewall functionalisation. The dependency of dynamics on charge states of the system is examined. It is found negative charges favour reactions that result in the functionalisation of the CNT. First principles molecular dynamics of defect formation yields chemically reasonable structure of stable defects, which can be reproduced in CNTs of any diameter and chirality. The explored hydroxyl and hydroperoxyl defects increase conductivity in a large diameter (10,0) CNT, while decrease conductivities in a small diameter (4,0) CNT.     

Effective, fast, and low temperature encapsulation of fullerene derivatives in single wall carbon nanotubes

High filling of single wall nanotubes (SWCNTs) with the typical exohedrally functionalized fullerene derivative of C₆₀N-methyl-3,4-fulleropyrrolidine C₆₀-C₃NH₇ is reported at the temperature of refluxing hexane. The new peapod material is characterized by STM (scanning tunneling microscopy), TEM (transmission electron microscopy) and Raman spectroscopy. Atomically resolved STM scans on SWCNT show no excessive defects or sidewall functionalization as a result of this treatment. The radial breathing mode (RBM) mode of SWCNT at 165 cm⁻¹ becomes weaker and shifted to 169 cm⁻¹ indicating filled nanotubes. TEM studies show bundles of SWCNT are highly filled with derivative C₆₀-C₃NH₇ and form the (C₆₀-C₃NH₇)_n peapods. Individual pyrrolidine-type functional groups attached to the fullerene cages are unambiguously visualized by a lower-dose observation.     

Synthesis of carbon nanotubes by catalytic vapor decomposition (CVD) method: Optimization of various parameters for the maximum yield

This paper describes an effect of flow rate, carrier gas (H₂, N₂ and Ar) composition, and amount of benzene on the quality and the yield of carbon nanotubes (CNTs) formed by catalytical vapour dcomposition (CVD) method. The flow and mass control of gases and precursor vapors respectively were found to be interdependent and therefore crucial in deciding the quality and yield of CNTs. We have achieved this by modified soap bubble flowmeter, which controlled the flow rates of two gases, simultaneously. With the help of this set-up, CNTs could be prepared in any common laboratory. Raman spectroscopy indicated the possibilities of formation of single-walled carbon nanotubes (SWNTs). From scanning electron microscopy (SEM) measurements, an average diameter of the tube/bundle was estimated to be about 70 nm. The elemental analysis using energy dispersion spectrum (EDS) suggested 96 at.wt.% carbon along with ca. 4 at.wt.% iron in the as-prepared sample. Maximum yield and best quality CNTs were obtained using H₂ as the carrier gas.      

单壁BN纳米管和碳纳米管物理吸附储氢性能的理论对比研究

采用巨正则蒙特卡罗方法(GCMC)研究了单壁氮化硼纳米管(SWBNNTs)和单壁碳纳米管(SWCNTs)的物理吸附储氢性能,主要对比研究了纳米管的管径、温度和手性对二者物理吸附储氢量的影响. 研究结果表明：在低温下,SWBNNTs的物理吸附储氢性能优于相应的SWCNTs;但是随着温度的升高,二者的物理吸附储氢性能差别越来越小,在常温下,SWBNNTs不具备有比SWCNTs更强的物理吸附储氢性能,而是和相同条件下的SWCNTs相差不大,只是在高压下的物理吸附储氢量稍稍大于SWCNTs,并给出了合理的理论解释 关键词： 巨正则蒙特卡罗方法(GCMC) 单壁氮化硼纳米管(SWBNNTs) 单壁碳纳米管(SWCNTs) 储氢     

Synthesis, characterization and catalytic oxidation properties of multi-wall carbon nanotubes with a covalently attached copper(II) salen complex

Hydroxyl functionalized copper(II) Schiff-base, N,N′-bis(4-hydroxysalicylidene)-ethylene-1,2-diaminecopper(II), [Cu((OH)₂-salen)], has been covalently anchored on modified MWCNTs. The new modified MWCNTs ([Cu((OH)₂-salen)]-MWCNTs) have been characterized by TEM, thermal analysis, XRD, XPS, UV-vis, DRS, FT-IR spectroscopy and elemental analysis. The modified copper(II) MWCNTs solid was used to affect the catalytic oxidation of ethylbenzene with tert-butylhydroperoxide as the oxidant at 333 K. The system is truly heterogeneous (no leaching observed) and reusable (no decrease in activity) in three consecutive runs. Acetophenone was the major product though small amounts of o- and p-hydroxyacetophenones were also formed revealing that C-H bond activation takes place both at benzylic and aromatic ring carbon atoms. Ring hydroxylation was more over the “neat” complexes than over the encapsulated complexes.     

Role of curing conditions and silanization of glass fibers on carbon nanotubes (CNTs) reinforced glass fiber epoxy composites

Curing behavior of amino-functionalized carbon nanotubes (ACNT) used as reinforcing agent in epoxy resin has been examined by thermal analysis. Experiments performed as per supplier’s curing conditions showed that modification of the curing schedule influences the thermo-mechanical properties of the nanocomposites. Specifically, the glass transition temperature (T_g) of ACNT-reinforced composites increased likely due to the immobility of polymer molecules, held strongly by amino carbon nanotubes. Further, a set of composites were prepared by implementing the experimentally determined optimal curing schedule to examine its effect on the mechanical properties of different GFRP compositions, while focusing primarily on reinforced ACNT and pristine nanotube (PCNT) matrix with silane-treated glass fibers. From the silane treatment of glass fibers in ACNT matrix composition it has been observed that amino silane is much better amongst all the mechanical (tensile and flexural) properties studied. This is because of strong interface between amino silane-treated glass fibers and modified epoxy resin containing uniformly dispersed amino-CNTs. On the other hand, PCNT GFRP composites with epoxy silanes demonstrated enhanced results for the mechanical properties under investigation which may be attributed to the presence of strong covalent bonding between epoxy silane of glass fiber and epoxy–amine matrix.     

Influence of halloysite nanotubes (HNTs) on morphology,crystallization, mechanical and thermal behaviour of PP/ABS blends and its composites in presence and absence of dual compatibilizer

Halloysite nanotubes (HNTs) filled 80/20 (wt/wt) polypropylene (PP)/acrylonitrile butadiene styrene (ABS) blends and its composites in presence and absence of dual compatibilizer (polypropylene grafted maleic anhydride (PP-g-MA), and styrene-ethylene, butylene-styrene triblock copolymer grafted with maleic anhydrite (SEBS-g-MA)) have been prepared using twin screw extruder followed by injection moulding. Significant refinements in dispersed ABS droplets diameter and interparticle distance between dispersed ABS droplets were observed in case of HNTs filled 80/20 (wt/wt) PP/ABS blends and its composites in presence of PP-g-MA and SEBS-g-MA. This has resulted in significant enhancement in tensile and impact properties of HNTs filled 80/20 (wt/wt) PP/ABS blends and its composites in presence of PP-g-MA and SEBS-g-MA. Refinement in morphology of dispersed ABS phase results in decrease in crystallinity of HNTs filled 80/20 (wt/wt) PP/ABS blends and its composites in presence of PP-g-MA and SEBS-g-MA. In addition, HNTs act as heterogeneous nucleating agent for the growth of PP crystals, and hence crystallization rate of HNTs filled 80/20 (wt/wt) PP/ABS blends and its composites in presence and absence of PP-g-MA and SEBS-g-MA increases. Thermal stability also increases in case of HNTs filled 80/20 (wt/wt) PP/ABS blends and its composites in presence and absence of PP-g-MA and SEBS-g-MA.     

Facile fabrication and optical properties of novel Pb(OH)Cl nanotubes

Uniform Pb(OH)Cl nanotubes were synthesized for the first time through a reverse micelles system. The system was consisting of C₁₂E₉ as a surfactant, n-pentanol as a cosurfactant, hexamethylene as the continuous oil phase and lead acetate or sodium chloride solution as the dispersed aqueous phase. The obtained Pb(OH)Cl nanotubes have an average outer diameter of 60 nm, inner diameter of about 40 nm, and an length up to 3 μm as TEM picture showed. And the range of the nanotube diameter is from 50 nm to 70 nm. XRD result indicated that Pb(OH)Cl crystallized in an orthorhombic phase. Photoluminescent (PL) spectrum showed that the product emit in near ultraviolet region and visible region at 335 nm and 439 nm respectively. The experimental results show that reaction temperature have effect on the shape of Pb(OH)Cl nanotubes. A possible formation mechanism was also discussed.     

Low temperature crystallization behavior of multi-walled carbon nanotubes/Pb(Zr0.52Ti0.48)O3 nanocomposite thin films through annealing in various atmosphere and duration control

We report a successful fabrication of 300 nm thick carbon nanotubes and Pb(Zr_0.52Ti_0.48)O₃ (CNT–PZT) nanocomposite thin films with annealing temperature as low as 500 °C in H₂/N₂ atmosphere. Realizing the thickness of CNT–PZT nanocomposite thin films down to few hundred nanometers is one way to reduce the operating voltage of its application to micro- or nano-electromechanical system. The field emission scanning electron microscopic and atomic microscopic analysis revealed that the nanocomposite thin films annealed in H₂/N₂ atmosphere exhibits the most favorable surface morphology with adequate perovskite (111) reflection of PZT based on X-ray diffraction analysis. The measured dielectric constant and loss tangent of the nanocomposite thin films show that the annealing duration of 30 min promotes the optimum dielectric properties of the nanocomposite thin films. Our observations suggest that the annealing atmosphere and duration are important parameters in controlling the crystallization behavior hence the dielectric properties of the nanocomposite thin films, which can be readily applicable to other nanocomposite thin films.     

B（N）掺杂单壁碳纳米管的Al原子吸附性能的第一性原理研究

采用基于密度泛函理论的平面波赝势方法和广义梯度近似,对未掺杂、掺B、掺N的碳纳米管(CNT)不同位置上Al原子的吸附进行了几何优化,计算了吸附Al、掺杂前后CNT的能带结构、态密度、差分电荷密度、电荷布居数和吸附能.计算结果表明,掺B使CNT形成缺电子状态,利于具有自由电子的Al原子的吸附结合,可显著提高Al在金属性的(5,5)CNT和半导性的(8,0)CNT外壁的吸附能;掺杂N形成多电子状态,在费米能级附近半满的施主能级也利于填充Al的价电子,改善Al在(5,5)CNT和(8,0)CNT外壁的吸附结合性 关键词： 密度泛函理论 单壁碳纳米管 B(N)掺杂 Al原子吸附