Electronic structure of fluorinated and hydrogenated beryllium monoxide nanostructures

Using first‐principles calculations, we investigate the chemical functionalizations of beryllium monoxide (BeO) nanostructures by the fluorine and hydrogen atoms. We find that the hydrogenation weakens the Be–O bonds and causes the instability of semihydrogenated nanosheets, while the fluorination is energetically favorable and forms a stable semifluorinated conformation. More importantly, the semifluorinated BeO sheet exhibits an intrinsic half‐metallic behavior, which is robust with a large half‐metal gap and a high Curie temperature above room temperature. By the same strategy of fluorination, the half‐metallicity can also be achieved in the one‐dimensional BeO nanotubes and nanoribbons. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Copper nanoclusters in amorphous hydrogenated carbon

A study of the geometric characteristics of copper nanoclusters incorporated in an amorphous hydrogenated carbon matrix is reported. It makes use of small-angle x-ray scattering and transmission electron microscopy (100 keV). The fractal dimension and nanocluster diameter have been determined from the x-ray scattering indicatrix for different copper concentrations. TEM images of copper nanoclusters have been analyzed, and a cluster distribution function in size constructed. The shape of the distribution function is discussed in terms of the theory of nucleation of a new phase. Fiz. Tverd. Tela (St. Petersburg) 40, 568–572 (March 1998)     

Irradiation-induced magnetism in carbon nanostructures

Nitrogen (15N) and carbon (12C) ion implantations with implant energy of 100 keV for different doses were performed on nanosized diamond (ND) particles. Magnetic measurements on the doped ND show ferromagnetic hysteresis behavior at room temperature. The saturation magnetization (M(s)) in the case of 15N implanted samples was found to be higher compared to the 12C implanted samples for dose sizes greater than 10(14) cm(-2). The role of structural modification or defects along with the carbon-nitrogen (C-N) bonding states for the observed enhanced ferromagnetic ordering in 15N doped samples is explained on the basis of x-ray photoelectron spectroscopy measurements.     

Superconductivity in ropes of single-walled carbon nanotubes

We report measurements on ropes of single-walled carbon nanotubes (SWNT) in low-resistance contact to nonsuperconducting (normal) metallic pads, at low voltage and at temperatures down to 70 mK. In one sample, we find a 2 orders of magnitude resistance drop below 0.55 K, which is destroyed by a magnetic field of the order of 1 T, or by a dc current greater than 2.5 microA. These features strongly suggest the existence of superconductivity in ropes of SWNT.     

Superconductivity in entirely end-bonded multiwalled carbon nanotubes

We report that entirely end-bonded multiwalled carbon nanotubes (MWNTs) can exhibit superconductivity with a transition temperature (T(c)) as high as 12 K, which is approximately 30 times greater than T(c) reported for ropes of single-walled nanotubes. We find that the emergence of this superconductivity is highly sensitive to the junction structures of the Au electrode/MWNTs. This reveals that only MWNTs with optimal numbers of electrically activated shells, which are realized by end bonding, can allow superconductivity due to intershell effects.     

Edge-state magnetism in hydrogenated armchair carbon nanotubes

We have investigated the antiferromagnetic edge states in hydrogenated carbon nanotubes by using the density functional theory calculations. The total energy difference between the antiferromagnetic and ferromagnetic states, corresponding to the exchange energy gain stabilizing the antiferromagnetic state, changes by an order of magnitude by controlling the hydrogen adsorption pattern and is nearly independent of the nanotube size for a properly chosen pattern, indicating that the antiferromagnetic edge states in the real size nanotubes can be realized at high temperatures. The coexisting zigzag and bearded edges in the hydrogenated CNTs are believed to enhance the exchange energy gain.     

Superconductivity in thin films of boron-doped carbon nanotubes

Superconductivity in carbon nanotubes (CNTs) is attracting considerable attention. However, its correlation with carrier doping has not been reported. We report on the Meissner effect found in thin films consisting of assembled boron (B)-doped single-walled CNTs (B-SWNTs). We find that only B-SWNT films consisting of low boron concentration leads to evident Meissner effect with Tc=12 K and also that a highly homogeneous ensemble of the B-SWNTs is crucial. The first-principles electronic-structure study of the B-SWNTs strongly supports these results.     

Amorphous hydrogenated carbon films on semiconductors

The adhesion quality of amorphous hydrogenated carbon films (a-C:H) on semiconductor substrates depends to a large degree on the properties of the interface. The present work complements the photoemission results of the preceding paper with a detailed investigation of the atomic structure of the a-C:H/Si and a-C:H/GaAs interfaces. We show that the method of substrate cleaning and the deposition parameters affect the thickness of the interfacial layer and the interface roughness. The carbide compounds that form in the interfacial layer are found to be amorphous and we present evidence for the precipitation of metallic Ga at the a-C:H/GaAs interface. Finally, we have determined the extent of atomic intermixing in the interfacial region and compare our results with different mechanisms of adhesion.     

Solid state NMR study of carbon bonding in amorphous hydrogenated carbon films

Carbon bonding environments in hydrogenated amorphous carbon films (a-C:H) deposited from an rf-biased methane plasma onto various substrates have been quantified by application of solid state¹³C NMR. A family of films were prepared by systematically varying the substrate bias voltage. Quantitative data on carbon chemistry in these films is required for modeling the impact of structure on mechanical and optical properties. A variety of NMR acquisition pulse sequences have been investigated to determine the conditions under which quantitative¹³C NMR data can be acquired in this system. The results indicate that data acquisition from this material requires different protocols than for the study of polymeric hydrocarbon films. With proper experimental design, NMR is an excellent technique for structural studies of these materials.     

Spin polarization in carbon nanostructures with disclinations

We performed ab initio calculations, using density functional theory, to study spin polarization in carbon nanostructures with disclinations. The results indicate that compounds with positive and negative Gaussian curvature may exhibit a net magnetic moment in the ground state. Additionally, we can conclude that, carbon compounds that display an odd number of pentagons and heptagons, present polarization in the ground state.     

Investigation of electrical transport in hydrogenated multiwalled carbon nanotubes

Highly disordered multiwalled carbon nanotubes of large outer diameter (∼60 nm) fabricated by means of chemical vapor deposition process inside porous alumina templates exhibit ferromagnetism when annealed in a H₂/Ar atmosphere. In the presence of an applied magnetic field, there is a transition from positive to negative magnetoresistance. The transition may be explained in terms of the Bright model for ordered and disordered carbon structures. Additionally, temperature dependent electrical transport experiments exhibit a zero-bias anomaly at low temperature.     

Thermopower of doped semiconducting hydrogenated amorphous carbon films

The thermopower S(T) and electrical conductivity have been measured from 25 to 250C for semiconducting a-C:H films doped with boron or phosphorus. S has the expected sign (positive for B-doping and negative for P-doping), is low for all films (10–50 μ V/K), and increases nearly linearly with T. This behavior, along with that observed for the electrical conductivity, is consistent with conduction via hopping at or near the Fermi level which has been shifted via doping from near mid-gap into broad bands of tail states at the appropriate band edges.     

The structure of copper-doped amorphous hydrogenated carbon films

A study of the nanostructure of a-C:H:Cu films by x-ray small-angle scattering, x-ray diffraction, TEM, and visible and UV spectroscopy is reported. It has been established that introduction of 9–16 at.% Cu not only decorates the original carbon fragments but produces extended (up to 4 μm in length) formations of copper-decorated strongly elongated ellipses as well. At 14–16 at.% Cu, these linear clusters represent copper nanotubes with a core made up of the original ellipses drawn in a line. It is these conducting copper formations that account primarily for the strong increase in conductivity at 12–16 at.% Cu contents in a-C:H films. Fiz. Tverd. Tela (St. Petersburg) 41, 2088–2096 (November 1999)     

Detection of carbon nanostructures in carburized chromium-iron spinel

It is established that nanostructures of various modifications are formed in a chromium-iron spinel matrix in the process of hydrocarbon pyrolysis at temperatures T = 600–850 °C. Investigations carried out by the methods of electron microscopy, x-ray diffraction analysis, infrared spectroscopy, and electron paramagnetic resonance demonstrate that nanosystems of three types: graphite crystallites with sizes of 6–22 nm, multilayered nanotubes, and plate carbon fibers are presented in the spinel matrix. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 87–92, January, 2007.     

Transition of carbon nanostructures in heptane diffusion flames

The flame synthesis has high potential in industrial production of carbon nanostructure (CNS). Unfortunately, the complexity of combustion chemistry leads to less controlling of synthesized products. In order to improve the understanding of the relation between flames and CNSs synthesized within, experiments were conducted through heptane flames in a stagnation-point liquid-pool system. The operating parameters for the synthesis include oxygen supply, sampling position, and sampling time. Two kinds of nanostructures were observed, carbon nanotube (CNT) and carbon nano-onion (CNO). CNTs were synthesized in a weaker flame near extinction. CNOs were synthesized in a more sooty flame. The average diameter of CNTs formed at oxygen concentration of 15% was in the range of 20–30 nm. For oxygen concentration of 17%, the average diameter of CNTs ranged from 24 to 27 nm, while that of CNOs was around 28 nm. For oxygen concentration of 19%, the average diameter of CNOs produced at the sampling position 0.5 mm below the flame front was about 57 nm, while the average diameters of CNOs formed at the sampling positions 1–2.5 mm below the flame front were in the range of 20–25 nm. A transition from CNT to CNO was observed by variation of sampling position in a flame. We found that the morphology of CNS is directly affected by the presence of soot layer due to the carbonaceous environment and the growth mechanisms of CNT and CNO. The sampling time can alter the yield of CNSs depending on the temperature of sampling position, but the morphology of products is not affected.     

Nanomechanical characterization of amorphous hydrogenated carbon thin films

Amorphous hydrogenated carbon (a-C:H) thin films deposited on a silicon substrate under various mixtures of methane-hydrogen gas by electron cyclotron resonance microwave plasma chemical vapor deposition (ECR-MPCVD) was investigated. Microstructure, surface morphology and mechanical characterizations of the a-C:H films were analyzed using Raman spectroscopy, atomic force microscopy (AFM) and nanoindentation technique, respectively. The results indicated there was an increase of the hydrogen content, the ratio of the D-peak to the G-peak (I_D/I_G) increased but the surface roughness of the films was reduced. Both hardness and Young's modulus increased as the hydrogen content was increased. In addition, the contact stress-strain analysis is reported. The results confirmed that the mechanical properties of the amorphous hydrogenated carbon thin films improved using a higher H₂ content in the source gas.     

Room-temperature electroluminescence from hydrogenated amorphous carbon nitride film

Electroluminescence devices in the structure of anode/poly(methylphenylsilane)/hydrogenated amorphous carbon nitride/cathode have been fabricated. A strong visible emission is observed at room temperature and the emission intensity increases with the increase of the current density. In this device, poly(methylphenylsilane) acts as a hole transporting and electron blocking layer. It is evidenced that the emission region is near the interface between the poly(methylphenylsilane) and hydrogenated amorphous carbon nitride layers. The electroluminescence properties are discussed and compared with the photoluminescence of the hydrogenated amorphous carbon nitride film.