不同激发波长下单壁碳纳米管与多壁碳纳米管的拉曼光谱比较

对不同激发波长下单壁和多壁碳纳米管的激光拉曼光谱进行了比较。发现单壁碳纳米管D峰强度和G峰强度的比值(ID/IG)几乎不随激发光子能量的改变而变化,多壁碳纳米管ID/IG值随着激发光子能量的增加以斜率0 3/eV减小。并对此现象进行了初步的分析。此外,还发现在1064nm激发波长下,单壁和多壁碳纳米管2500-3500cm-1之间拉曼峰的相对强度随着入射激光功率的增加而增加。     

Photocurrent in single walled carbon nanotubes

Carbon based nanomaterials have received a lot of attention due to their unique structural and physical properties. In this study, photoresponse in semiconducting single-walled carbon nanotubes is investigated using density functional theory. The photocurrent generated is found to increase with the increasing electrode voltage at a constant flux. In all models the current increases uniformly with applied voltage and maximum value of current is found in the pristine CNT model, however the magnitude of photocurrent decreases in the homogenously nitrogen and boron doped models. Moreover, the photocurrent increases with increase in flux showing photoresistive property in CNTs. The spectral peaks appear at different wavelengths in the three models paving way for wide range of applications in the futuristic optoelectronic devices.     

Y-branching of single walled carbon nanotubes

Y-branching was observed by scanning tunnelling microscopy (STM) in single wall carbon nanotubes grown by thermal decomposition of C₆₀ fullerene in the presence of transition metals. These novel carbon nanostructures may play an important role in carbon-based nanoelectronics. Received: 18 November 1999 / Accepted: 20 January 2000 / Published online: 8 March 2000     

Chemical functionalization of single walled carbon nanotubes

Chemical modification has been performed on purified single walled carbon nanotubes. XPS spectrum shows that the peak corresponding to C (1s) centered at 284.38 eV in pure nanotubes (graphitic C) is 0.4 eV downshifted in chlorinated sample. Subsequent coupling reactions were carried out with diamine molecules to form intertube connections. Tripropylentetramine and phenylendiamine have been chosen as a molecular linker. End-to-side and end-to-end nanotube interconnections are formed and then observed by atomic force microscopy (AFM). Statistical analysis made from AFM images shows around 30% junctions in functionalized and less than 2% in pristine material. Remarkable features can be observed in the Raman spectra at different functionalization steps. Simple conductance measurements on bucky papers prepared from prestine nanotubes and from nanotubes modified at various steps have been made and are discussed.     

Effect of van der Waals interactions on the Raman modes in single walled carbon nanotubes

We have measured the Raman spectrum of individual single walled carbon nanotubes in solution and compare it to that obtained from the same starting material where the tubes are present in ordered bundles or ropes. Interestingly, the radial mode frequencies for the tubes in solution are found to be approximately 10 cm (-1) higher than those observed for tubes in a rope, in apparent contradiction to lattice dynamics predictions. We suggest that there is no such contradiction, and propose that the upshift is due rather to a decreased energy spacing of the Van Hove singularities in isolated tubes over the spacings in a rope, thereby allowing the same laser excitation to excite different diameter tubes in these two samples.     

Size effect on doped single walled carbon nanotubes

Considering impurity doping in small sized carbon nanotubes of diameter around 0.4 nm, we have calculated the donor binding energy by increasing the dopant concentration through a screening function that includes the curvature effect. We could observe the sudden fall in donor binding energy and metallic behaviour of the smaller single walled carbon nanotubes around 10¹¹/cm² (0.0026%) of impurity concentration. This result is useful for nano electronic device application such as nano diodes and switches.     

Electronic properties of alkali-metal intercalated single walled carbon nanotubes

We present a comparative study of the electronic properties of sodium and lithium intercalated single walled carbon nanotubes in a bucky paper sample by electron energy loss spectroscopy and photoemission spectroscopy. We have found that at room temperature both sodium and lithium rapidly diffuse into the bulk of the sample while different magnitudes of charge transfer from Na and Li to the nanotube bundles have been observed. The maximum observed displacement of the Fermi level is almost the same for both alkali although Na and Li induce quite different changes in the carbon nanotube electronic structure. We interpret our results as a more covalent character of the Li-carbon nanotube interaction with respect to the ionic character of the Na-carbon nanotube interaction; the localization of the charge density along the Li-C bond is responsible for an intertube interaction within the carbon nanotube ropes.     

Resonant Raman scattering of the smallest single-walled carbon nanotubes

We report optical properties of the smallest single-walled carbon nanotubes (SWNTs) with a diameter of only 3 A. These ultrasmall SWNTs are fabricated in the elliptical nanochannels of an AlPO-11 (AEL) single crystal. Polarized and resonant Raman scattering unambiguously revealed that these 0.3 nm SWNTs are of (2,2) armchair symmetry. Interestingly, the (2,2) armchair tube has two metastable ground states corresponding to two slightly different lattice constants in the axial direction: one state is metallic and the other is semiconducting.     

Optical properties of single wall carbon nanotubes dispersed in biopolymers

In this paper we report the optical studies of single wall carbon nanotubes dispersed in biomaterials. We have obtained very stable suspensions of SWNTs, which allowed us to get good photoluminescence signal from the individually dispersed nanotubes. These new hybrid systems may find some applications in bionanocomposites with photoluminescence properties and in biosensors. Furthermore, the dispersion of carbon nanotubes in these biocompatible materials is important for evaluating the toxicity of either isolated or lightly bundled single wall carbon nanotubes.     

微孔对单壁纳米碳管储氢性能的影响

用巨正则蒙特卡罗分子模拟方法研究了单壁纳米碳管中的微孔即单壁纳米碳管基本孔-内管腔和管间孔对单壁纳米碳管储氢性能的影响.与低温下氮气吸附实验结果的比较发现单壁纳米碳管的内管腔是吸附的主要位置.分析单壁纳米碳管内管腔中吸附势的叠加和利用效率，发现管径为2nm左右时单壁纳米碳管内管腔的储氢容量最高.当单壁纳米碳管阵列的管间距增加时，单壁纳米碳管的管间孔也会成为有效的氢吸附位. 关键词： Monte Carlo方法 单壁纳米碳管 储氢 微孔     

Influence of oligonucleotide interaction on electronic properties of single walled carbon nanotubes

Raman spectroscopy is a powerful tool to study molecular systems. The influence of the non‐covalent interactions of two different lengths of oligonucleotides, 10‐base and 25‐base, composed of polyA, polyT, polyG and polyC, on the electronic structure of single‐walled carbon nanotubes (SWCNTs) is first studied by means of Raman spectroscopy. Then, the possible changes in their electronic structure with chemical attachment of the oligonucleotides are investigated. The Raman data indicates that polyA with 10‐base wraps the SWCNTs at increased incubation time, while polyA with 25‐base wraps quickly, but increasing the incubation time reduces the efficient wrapping, possibly due to the self‐stacking. The polyT‐10 does not wrap around the SWCNTs very effectively even at increased incubation times, but the polyT‐25 wraps them effectively in 30 mins, but increasing the time again decreases the wrapping significantly. While polyG shows similar pattern to the case for the polyA, the polyC shows much higher affinity for the SWCNTs under all studied conditions. The chemical attachment of the same oligonucleotides does not alter the electronic properties of the SWCNTs significantly. These results suggest that oligonucleotides can be used to bring the SWCNTs into higher structures through DNA hybridization without significantly altering their unique properties. Copyright © 2012 John Wiley & Sons, Ltd.     

Cutting of multi walled carbon nanotubes

Multi walled carbon nanotubes (MCNT) synthesized by CVD method have been successfully cut into different lengths by controlling H₂SO₄/HNO₃ (5:3) oxidation time. During the cutting process H₂SO₄ and HNO₃ were added independently and the oxidation processes were carried out at a lower temperature to void excess weight loss and damage to MCNT. The resulting shorted MCNT (s-MCNT) formed stable dispersion state in the polar solvents without the help of surfactants that provided possibility for further functionalization and application. Moreover, NaOH solution was used to determine the total percentage of acidic sites and the total percentage of acidic sites are about 0.2-1%.     

An efficient route towards the covalent functionalization of single walled carbon nanotubes

A simple and efficient method of chemical functionalization of both single and multiwalled carbon nanotubes has been discussed to give enhanced water solubility by rapidly and efficiently generating an appreciable amount of hydrophilic functional groups using microwave radiation. Surface functionalization containing more than 30 wt% of oxygen has been achieved, resulting into solubility of 2–5 mg/mL. Further covalent functionalization of such soluble SWNTs provides a remarkable degree of aniline functionalization through amidation, where the formation of polyaniline has been avoided. Functionalization of SWNTs is confirmed by techniques like electron microscopy, Fourier transform infrared spectroscopy, thermogravimetry, Raman spectroscopy, cyclic voltammetry and impedance spectroscopy. Electrochemical analysis suggests an enhanced double layer capacitance (110 F/g) of nanotubes after microwave treatment. Aniline functionalization of SWNTs shows possible variations on the nanotube topography with concomitant formation of a dynamic polymer layer on the nanotube surface.     

Encapsulation of lamivudine into single walled carbon nanotubes: A vdW-DF study

To explore a suitable carrier for lamivudine drug, the incorporation of lamivudine inside the single walled carbon nanotubes (SWCNTs) has been investigated by using first-principles van der Waals density functional (vdW-DF) calculations. The obtained binding energies reveal that lamivudine prefers to be encapsulated into the metallic nanotubes with diameter of about 13 Å. Semiconducting SWCNTs exhibit slightly weaker interaction strength with the lamivudine in comparison with the metallic counterparts. However, the calculated binding energies for both considered nanotubes are typical for the physisorption. The influence of nanotube length on the lamivudine incorporation inside the various considered nanotubes has also been investigated and the results show that it plays an important role in the encapsulation process. The electronic structures analysis for the energetically most favorable complexes reveal that incorporated lamivudine changes slightly the electronic properties of SWCNTs. This indicates that there is no considerable hybridization between the corresponding orbitals and the weak interaction obtained quantitatively in terms of binding energies.     

Dynamic mechanical analysis of single walled carbon nanotubes/polymethyl methacrylate nanocomposite films

Dynamic mechanical properties of nanocomposite films with different ratios of single walled carbon nanotubes/polymethyl methacrylate(SWCNTs/PMMA) are studied. Nanocomposite films of different ratios(0, 0.5, 1.0, and2.0 weight percent(wt%)) of SWCNTs/PMMA are fabricated by using a casting technique. The morphological and structural properties of both SWCNT powder and SWCNTs/PMMA nanocomposite films are investigated by using a high resolution transmission electron microscope and x-ray diffractometer respectively. The mechanical properties including the storage modulus, loss modulus, loss factor(tan δ) and stiffness of the nanocomposite film as a function of temperature are recorded by using a dynamic mechanical analyzer at a frequency of 1 Hz. Compared with pure PMMA film, the nanocomposite films with different ratios of SWCNTs/PMMA are observed to have enhanced storage moduli, loss moduli and high stiffness, each of which is a function of temperature. The intensity of the tan δ peak for pure PMMA film is larger than those of the nanocomposite films. The glass transition temperature(T g) of SWCNTs/PMMA nanocomposite film shifts towards the higher temperature side with respect to pure PMMA film from 91.2?C to 99.5?C as the ratio of SWCNTs/PMMA increases from 0 to 2.0 wt%.     

Probing structural integrity of single walled carbon nanotubes by dynamic and static compression

We report on a first study of single walled carbon nanotubes (SWCNTs) after application of dynamic (shock) compression. The experiments were conducted at 19 GPa and 36 GPa in a recovery assembly. For comparison, an experiment at a static pressure of 36 GPa was performed on the material from the same batch in a diamond anvil cell (DAC). After the high pressure treatment the samples were characterized by Raman spectroscopy and transmission electron microscopy (TEM). After exposure to 19 GPa of shock compression the CNT material exhibited substantial structural damage such as CNT wall disruption, opening of the tube along its axis (“unzipping”) and tube shortening (“cutting”). Dynamic compression to 36 GPa resulted in essentially complete CNT destruction whereas at least a fraction of the nanotubes was recovered after 36 GPa of static compression though severely damaged. The results of these shock wave experiments underline the prospect of using SWCNTs as reinforcing units in material WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

有限长单壁碳纳米管的受压频移

使用第一原理密度泛函计算方法，我们研究了(5,5)有限长单壁碳纳米管（FSWNT）在气相条件下，结构的变化对振动模式（红外强度和拉曼活性）的影响. 我们得到了与无限长单壁碳纳米管（SWNT）有差异的拉曼频谱，发现了A1g, E1g 和 E2g的不同频移特征，并对其原因进行了解释. 当结构压缩到1.5 时，我们得到了一个双管的FSWNT结构，它也具有一个呼吸模（409.26 cm-1），而释放“压力”之后，FSWNT不同于SWNT之处在于其不能恢复到理想的D5d对称性结构，我们得到了一个新的具有C2h对称性的稳定的两端半封闭的FSWNT，其也具有一个明确的呼吸模（365.01 cm-1）. 并且，我们发现了稳定的D5d和C2h对称性结构的不同的电子布居特征.     

Calculation of resonance Raman excitation profiles

The present work describes a novel mathematical scheme for the evaluation of multi-dimensional time domain integrals that arise in the calculation of resonance Raman excitation profiles and the optical absorption spectra when the electronic transitions take place between displaced, distorted, and rotated harmonic potential energy surfaces. A recipe is provided for formulating the time domain integrals in terms of a tractable summation of products involving hermite polynomials. Expressions for the special cases (displaced and/or distorted oscillators) are written in terms of mathematical special functions which are computationally easier to deal with. Relations with the so-called transform theory are discussed. Resonance Raman excitation profiles and the optical absorption spectrum for a 7-mode system are calculated as an illustration of our expressions.     

Calculating excitation profiles for resonant Raman scattering by tetradesmethyl-β-carotene in solution

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 53, No. 6, pp. 967–973, December, 1990.     

High yield incorporation and washing properties of halides incorporated into single walled carbon nanotubes

We describe here the high yield filling (i.e. >50%) of single walled nanotubes (SWNTs) with a variety of halides, achieved according to various modified filling procedures. Both bundles and discrete SWNTs can be filled continuously up to lengths of several hundred nm, often with filling yields approaching 60–70% or better. In addition some high yield filled SWNTs were subjected to long-term washing in either boiling or room temperature. aqueous media, which does not remove the filling from the tubules, but enables effective removal of water-soluble extraneous materials . Received: 10 May 2002 / Accepted: 25 October 2002 / Published online: 10 March 2003 RID="*" ID="*"Corresponding author. Fax: +44-1865/272-690, E-mail: jeremy.sloan@chem.ox.ac.uk