Metal-catalyzed graphitization from vapor phase sources of carbon is now an established technique for producing few-layer graphene, a candidate material of interest for post-silicon electronics. Here we describe two alternative metal-catalyzed graphene formation processes utilizing solid phase sources of carbon. In the first, carbon is introduced as part of a cosputtered Ni-C alloy; in the second, carbon is introduced as one of the layers in an amorphous carbon (a-C)/Ni bilayer stack. We examine the quality and characteristics of the resulting graphene as a function of starting film thicknesses, Ni-C alloy composition or a-C deposition method (physical or chemical vapor deposition), and annealing conditions. We then discuss some of the competing processes playing a role in graphitic carbon formation and review recent evidence showing that the graphitic carbon in the a-C/Ni system initially forms by a metal-induced crystallization mechanism (analogous to what is seen with Al-induced crystallization of amorphous Si) rather than by the dissolution-upon-heating/precipitation-upon-cooling mechanism seen when graphene is grown by metal-catalyzed chemical vapor deposition methods.

In this work we present preliminary results from molecular dynamics simulations for carbon nanotubes serpentine dynamics formation. These S-like nanostructures consist of a series of parallel and straight nanotube segments connected by alternating U-turn shaped curves. Nanotube serpentines were experimentally synthesized and reported in recent years, but up to now no atomistic simulations have been carried out to address the dynamics of formation of these structures. We have carried out fully atomistic molecular dynamics simulations in the framework of classical mechanics with a standard molecular force field. Multi-million atoms structures formed by stepped substrates with a carbon nanotube (about 1 micron in length) placed on top of them have been considered in our simulations. A force is applied to the upper part of the tube during a short period of time and then turned off and the system set free to evolve in time. Our results showed that these conditions are sufficient to form robust serpentines and validate the general features of the ‘falling spaghetti mechanism’ previously proposed to explain their formation.

Here we report rich and new resonant Raman spectral features for several sub-nanometer diameter single wall carbon nanotubes (sub-nm SWNTs) samples grown using chemical vapor deposition technique operating at different temperatures. We find that the high curvature in sub-nm SWNTs leads to (i) an unusual S-like dispersion of the G‑band frequency due to perturbations caused by the strong electron-phonon coupling, and (ii) an activation of diameter-selective intermediate frequency modes that are as intense as the radial breathing modes (RBMs). Furthermore, an analytical approach which includes the effects of curvature into the overlap integral and the energy gap between the van Hove singularities is discussed. Lastly, we show that the phonon spectra for sub-nm SWNTs obtained from the molecular dynamic simulations which employs a curvature-dependent force field concur with our experimental observations.

We report a novel system for sorting single wall carbon nanotubes (SWCNTs) by length via cross-flow filtration with three membrane filters of different pore sizes, 1.0, 0.45, and 0.2 μm. SWCNTs dispersed in water with the help of polymer type detergents, such as sodium carboxymethylcellulose (CMC) and polyoxyethylene stearyl ether (Brij 700), were successfully fractionated into four samples, and the atomic force microscopy (AFM) observation of those samples confirmed that their length distribution peaks are within the expected ranges from pore sizes of used filters. However, the result of the similar filtration process using a non-polymer detergent, sodium dodecylbenzenesulfonate (SDBS), showed no pronounced correlation between the length distribution of SWCNTs and the pore size. The observed difference in the sorting phenomena caused by the detergent type suggests that the permeation property depends on the complex structure resulting from the dispersed SWCNTs and detergent molecules.

We report on the usage of a simple microfabricateddevice, that works in conjunction with a quantitative nanoindenter inside a scanning electron microscope (SEM), for the in situ quantitative tensile testing of individual sidewall fluorinated multi-wall carbon nanotubes (MWNTs). The stress vs. strain curves and the tensile strength values for five fluorinated specimens have been presented and compared to those of pristine MWNT specimens (data reported earlier). The fluorinated specimens were found to deform and fail in a brittle fashion similar to pristine MWNTs. However, sidewall fluorination was found to have considerably degraded the mechanical properties (tensile strength and load bearing capacity) of the MWNTs.

Direct deposition of graphene from carbon sources on foreign substrates without the use of metal catalysts is shown to be an effective process with several advantages over other growth techniques. Carbon source molecular beam epitaxy (CMBE) in particular provides an additional control parameter in carbon flux and enables growth on substrates other than SiC, including oxidized Si and sapphire. CMBE using thermally evaporated C60 and a heated graphite filament on SiC is reported here. The graphene films were characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, atomic force microscopy and Hall effect. Graphene films on Si-face SiC grown using the C60 source have Bernal-like stacking and n-type conduction while those grown using the graphite filament have turbostratic stacking and p-type conduction. The sheet concentration for both n- and p-type doping is linearly dependent on film thickness.

We report an interesting property of carbon dots: they emit light under charge injection. We synthesized carbon dots in diameter about 20 nm using wet chemistry methods. The photoluminescence quantum efficiency of the carbon dots dissolved in water was about 11%. We observed strong electrogenerated chemiluminescence (ECL) from the sample. This observation of ECL from carbon dots indicates that they could be a good candidate material for carbon-based electroluminescent devices.

We present atomic force microscopy (AFM), Hall-effect measurement, and Raman spectroscopy results from graphene films on 6H-SiC (0001) and (000-1) faces (Si-face and C-face, respectively) produced by radiative heating in a high vacuum furnace chamber through thermal decomposition. We observe that the formation of graphene on the two faces of SiC is different in terms of the surface morphology, graphene thickness, Hall mobility, and Raman spectra. In general, graphene films on the SiC C-face are thicker with higher mobilities than those grown on the Si-face.

The diameter of individual single-walled carbon nanotubes (SWNTs) was successfully modulated along their axes by instant temperature control in a laser-assisted chemical vapor deposition (LCVD) process. SWNTs were grown using different temperature profiles to investigate the effects of temperature variation on their growth. Due to the inverse relationship between SWNT diameter and growth temperature, SWNTs with ascending diameters were obtained by reducing the LCVD temperature from high to low. The diameter-modulated SWNTs were grown across a pair of Mo electrodes to form field-effect transistors (FETs) for investigation of their electronic transport properties. Fabricated devices demonstrated properties similar to Schottky diodes, implying different bandgap structures at the ends of the SWNTs. Raman spectroscopy, transmission electron microscopy, and electronic transport characteristics were studied to investigate the influence of temperature variation on the structural and electronic characteristics of SWNTs.

Recently, Elias et al. (Science 323, 610 (2009).) reported the experimental realization of the formation of graphane from hydrogenation of graphene membranes under cold plasma exposure. In graphane, the carbon-carbon bonds are in sp3 configuration, as opposed to the sp2 hybridization of graphene, and the C–H bonds exhibit an alternating pattern (up and down with relation to the plane defined by the carbon atoms). In this work we have investigated, using reactive molecular dynamics simulations, the role of H frustration (breaking the H atoms up and down alternating pattern) in graphane-like structures. Our results show that a significant percentage of uncorrelated H frustrated domains are formed in the early stages of the hydrogenation process, leading to membrane shrinkage and extensive membrane corrugations. This might explain the significant broad distribution of values of lattice parameter experimentally observed. For comparison purposes we have also analyzed fluorinated graphane-like structures. Our results show that similarly to H, F atoms also create significant uncorrelated frustrated domains on graphene membranes.

The modeling of single wall carbon nanotubes properties (length, diameter, chirality, defective wall structure) influence on sorption capability at different thermodynamic conditions (T= 80-273 К; P = 2-12 MPa) is presented in this work. The applied simulation procedure is the molecular dynamics as well the new event-driven simulation algorithm has been used. In the frameworks of this event-driven simulation algorithm the modeling of structure formation for carbon nanotubes have been done with different chirality and with wall defects presence. The analysis of obtained results and their comparison with published experimental and theoretical results are performed.

The raw single wall carbon nanotubes (SWCNT) were chemically and thermally treated and then milled in ball mill. After this SWCNT were irradiated by electron beam with energy 2.3 MeV up to fluence 1014 e-/cm2 at room temperature. Then SWCNT were saturated with hydrogen at pressure 5 bar and quenching down to the temperature 78 K. The sorption capability was measured by means of mass-spectroscopy and volumetric methods. The double increasing of mass hydrogen content in electron bombarded SWCNT was showed comparatively with non-irradiated samples.

Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). The results of atomistic simulations are interpreted using a theoretical model of thermodynamics, which enables determination of the nonlinear functions for the strain-dependent edge energy and the hydrogen adsorption energy, for both zigzag and armchair edges. Due to the edge effects, the initial Young’s modulus of graphene nanoribbons under infinitesimal strain varies with the edge chirality and the ribbon width. Furthermore, it is found that the nominal strain to fracture is considerably lower for armchair graphene nanoribbons than for zigzag ribbons. Two distinct fracture mechanisms are identified, with homogeneous nucleation for zigzag ribbons and edge-controlled heterogeneous nucleation for armchair ribbons.

High resolution far infrared absorption measurements were carried out for single walled and double walled carbon nanotubes samples (SWCNT and DWCNT) encased in a polyethylene matrix to investigate the temperature and bundling effects on the low frequency phonons associated with the low frequency circumferential vibrations. At a temperature where kBT is significantly lower than the phonon energy, the broad absorption features as observed at room temperature become well resolved phonon transitions. For a DWCNT sample whose inner tubes have a similar diameter distribution as the SWCNT sample studied, a series of sharp features were observed at room temperature at similar positions as for the SWCNT samples studied. The narrow linewidth is attributed to the fact that the inner tubes are isolated from the polyethylene matrix and the weak inter-tubule interactions. More systematic studies will be required to better understand the effects of inhomogeneous broadening and thermal-excitation on the detailed position and lineshape of the low frequency phonon features in carbon nanotubes.

The formation of carbon nanostructures using silica nanoparticles from quartz substrates as a catalyst in an aerosol assisted chemical vapor deposition process was examined. The silica particles are reduced to silicon carbide via a carbothermal reduction process. The recyclability of the explored quartz substrates is also presented. The addition of triethyl borate improves the efficiency of the carbothermal reduction process and carbon nanotubes formation. Moreover, the addition of hydrogen during the chemical vapor deposition leads to the helical carbon nanostructures formation.

The molecular structure and dynamics of carbon nanostructures is much discussed throughout the literature, mostly from the theoretical side because of a lack of suitable experimental techniques to adequately engage the problem. A technique that has recently become available is low-voltage aberration-corrected transmission electron microscopy. It is a valuable tool with which to directly observe the atomic structure and dynamics of the specimen in situ. Time series aberration-corrected low-voltage transmission electron microscopy is used to study the dynamics of single-wall carbon nanotubes in situ. We confirm experimentally previous theoretical predictions for the agglomeration of adatoms forming protrusions and subsequent removal. A model is proposed how lattice reconstruction sites spread. In addition, the complete healing of a multi-vacancy consisting of ca. 20 missing atoms in a nanotube wall is followed.

Graphene grown by Chemical Vapor Deposition (CVD) on nickel subsrate is oxidized by means of oxygen plasma and UV/Ozone treatments to introduce bandgap opening in graphene. The degree of band gap opening is proportional to the degree of oxidation on the graphene. This result is analyzed and confirmed by Scanning Tunnelling Microscopy/Spectroscopy and Raman spectroscopy measurements. Compared to conventional wet-oxidation methods, oxygen plasma and UV/Ozone treatments do not require harsh chemicals to perform, allow faster oxidation rates, and enable site-specific oxidation. These features make oxygen plasma and UV/Ozone treatments ideal candidates to be implemented in high-throughput fabrication of graphene-based microelectronics.

We present a fully automated microwave-based synthesis setup for colloidal nanoparticles. Integrated absorption and photoluminescence online analytics opens the possibility to monitor the growth of various nanoparticles at any stage of the reaction. Spectroscopic investigation within the first seconds of a reaction is accessible opening the possibility to detect potential critical size nuclei as a function of the reaction conditions. Beside the possibility to perform systematic mechanistic studies, this system allows a high degree of synthesis control leading to very good product reproducibility. In conjunction with an automated auto sampler unit systematic multiple reactions can be performed one after each other and compared. The setup is remote-controllable allowing worldwide online control accessibility over the synthesis setup including data processing, visualization and storage. The performance of the setup will be demonstrated by using the synthesis of CdSe nanocrystals as a model system and can be extended to the synthesis of various metallic and semiconducting nanoparticles.

The potential of MgO and ZrO2 as catalytically active substrates for graphene formation via thermal CVD is explored. Experimental observations show the growth of single and multi-layer graphene nano-flakes over MgO and ZrO2 at low temperatures. The graphene nano-flakes are found to anchor at step sites. Ab initio calculations indicate step sites are crucial to adsorb and crack acetylene.