Chiraltube, rolling 2D materials into chiral nanotubes.

Carbon nanotubes (NTs) are graphene sheets rolled into a 1D material, with a specific chirality that defines its structure and properties. Graphene has triggered the development of thousands of 2D materials, which in principle could also be rolled into 1D NTs. However, most of these NTs have not been proposed due to difficulties in the generation of atomic coordinates for chiral NTs from 2D materials with a non-hexagonal lattice or multi-layered materials. In this paper we present Chiraltube, an open-source Python code that allows the quick generation of a complete NT with any chirality from the unit cell of its original 2D material. We explain the inner workings of the code as well as the theoretical background on which it is built, generalizing concepts from the construction of chiral and achiral carbon NTs to work on any other 2D material. We show various examples of the resulting chiral NT structures built from phosphorene, MoS2 and Ti3C2, and present some analysis on the interatomic distortion in the outermost layers of these NTs, as well as the results of ab initio electronic structure calculations on a set of phosphorene NTs generated by the program, showing the immediate practicality and usefulness of the program. We also explore some limitations and details of the tool as well as further work to be done.

Structured light using carbon nanostructures driven by Kerr nonlinearities and a magnetic field.

A substantial influence of a magnetic field on the third-order nonlinear optical properties exhibited by aggregated networks of aligned carbon nanotubes (CNT) is reported by systematic measurements. A two-wave mixing was employed to explore and modulate the refractive index in the nanostructures in the nanosecond and picosecond regime. The presence of a magnetic field was able to modify the optical transmittance in the sample and the potentiality to generate structured light was proposed. Numerical simulations were conducted to analyze the magnetic field phenomena and the oscillations of the electric field in the studied sample. We discussed theoretical concepts, experimental methods, and computational tools employed to evaluate the third-order nonlinear optical properties of CNT in film form. Immediate applications of the system to modulate structured light can be contemplated.

Effect of ball milling on cellulose nanoparticles structure obtained from garlic and agave waste.

The aim of this study was to obtain cellulose and cellulose nanoparticles (CNP) from garlic and agave wastes, as well as elucidating its structure at different scales using microscopy and spectroscopy techniques. Cellulose is isolated by using a sequential extractive process and monitored by CLSM and SEM, while CNP are produced in a high-energy planetary mill. FTIR and XRD confirmed the presence of cellulose type I and CI and Dhkl was used to evaluate the size of CNP. The corresponding crystalline structure, d-spacing and angles obtained from crystalline regions of CNP were estimated by TEM and computational simulation. It is shown that the triclinic phase is predominant in G, and a monoclinic conformation in CNP for A. The novelty of this contribution is to demonstrate that the crystalline structure of CNP, extracted from different agro-food wastes, depends on its initial microstructural arrangement (laminar or fibrillar).

Evaluating the biological risk of functionalized multiwalled carbon nanotubes and functionalized oxygen-doped multiwalled carbon nanotubes as possible toxic, carcinogenic, and embryotoxic agents.

Carbon nanotubes (CNTs) have been a focus of attention due to their possible applications in medicine, by serving as scaffolds for cell growth and proliferation and improving mesenchymal cell transplantation and engraftment. The emphasis on the benefits of CNTs has been offset by the ample debate on the safety of nanotechnologies. In this study, we determine whether functionalized multiwalled CNTs (fMWCNTs) and functionalized oxygen-doped multiwalled CNTs (fCOxs) have toxic effects on rat mesenchymal stem cells (MSCs) in vitro by analyzing morphology and cell proliferation and, using in vivo models, whether they are able to transform MSCs in cancer cells or induce embryotoxicity. Our results demonstrate that there are statistically significant differences in cell proliferation and the cell cycle of MSCs in culture. We identified dramatic changes in cells that were treated with fMWCNTs. Our evaluation of the transformation to cancer cells and cytotoxicity process showed little effect. However, we found a severe embryotoxicity in chicken embryos that were treated with fMWCNTs, while fCOxs seem to exert cardioembryotoxicity and a discrete teratogenicity. Furthermore, it seems that the time of contact plays an important role during cell transformation and embryotoxicity. A single contact with fMWCNTs is not sufficient to transform cells in a short time; an exposure of fMWCNTs for 2 weeks led to cell transformation risk and cardioembryotoxicity effects.

A Spray Pyrolysis Method to Grow Carbon Nanotubes on Carbon Fibres, Steel and Ceramic Bricks.

We demonstrate a spray pyrolysis method to grow carbon nanotubes (CNTs) with high degree of crystallinity, aspect ratio and degree of alignment on a variety of different substrates, such as conventional steel, carbon fibres (CF) and ceramics. The process consists in the chemical vapour deposition of both a thin SiO2 layer and CNTs that subsequently grow on this thin layer. After CNT growth, increases in specific surface by factors of 1000 and 30 for the steel and CF samples, respectively, are observed. CNTs growth on ceramic surfaces results in a surface resistance of 37.5 Ohm/sq. When using conventional steel as a rector tube, we observed CNTs growth rates of 0.6 g/min. Details of nanotube morphology and the growth mechanism are discussed. Since the method discussed here is highly versatile, it opens up a wide variety of applications in which specific substrates could be used in combination with CNTs.

Ozone sensing based on palladium decorated carbon nanotubes.

Multiwall carbon nanotubes (MWCNTs) were easily and efficiently decorated with Pd nanoparticles through a vapor-phase impregnation-decomposition method starting from palladium acetylacetonates. The sensor device consisted on a film of sensitive material (MWCNTs-Pd) deposited by drop coating on platinum interdigitated electrodes on a SiO2 substrate. The sensor exhibited a resistance change to ozone (O3) with a response time of 60 s at different temperatures and the capability of detecting concentrations up to 20 ppb. The sensor shows the best response when exposed to O3 at 120 °C. The device shows a very reproducible sensor performance, with high repeatability, full recovery and efficient response.

Dynamic catalyst restructuring during carbon nanotube growth.

We study the restructuring of solid nickel catalyst nanoparticles during carbon nanotube growth by environmental transmission electron microscopy and multiscale modeling. Our molecular dynamics/continuum transport calculations of surface-diffusion-mediated restructuring are in quantitative agreement with the experimentally observed catalyst shape evolutions. The restructuring time scale is determined by reduced Ni diffusion through the stepped Ni-C interface region where the catalyst surface strongly anchors to the growing nanotube.

Viscous state effect on the activity of Fe nanocatalysts.

Many applications of nanotubes and nanowires require controlled bottom-up engineering of these nanostructures. In catalytic chemical vapor deposition, the thermo-kinetic state of the nanocatalysts near the melting point is one of the factors ruling the morphology of the grown structures. We present theoretical and experimental evidence of a viscous state for nanoparticles near their melting point. The state exists over a temperature range scaling inversely with the catalyst size, resulting in enhanced self-diffusion and fluidity across the solid-liquid transformation. The overall effect of this phenomenon on the growth of nanotubes is that, for a given temperature, smaller nanoparticles have a larger reaction rate than larger catalysts.

Ledge-flow-controlled catalyst interface dynamics during Si nanowire growth.

Self-assembled nanowires offer the prospect of accurate and scalable device engineering at an atomistic scale for applications in electronics, photonics and biology. However, deterministic nanowire growth and the control of dopant profiles and heterostructures are limited by an incomplete understanding of the role of commonly used catalysts and specifically of their interface dynamics. Although catalytic chemical vapour deposition of nanowires below the eutectic temperature has been demonstrated in many semiconductor-catalyst systems, growth from solid catalysts is still disputed and the overall mechanism is largely unresolved. Here, we present a video-rate environmental transmission electron microscopy study of Si nanowire formation from Pd silicide crystals under disilane exposure. A Si crystal nucleus forms by phase separation, as observed for the liquid Au-Si system, which we use as a comparative benchmark. The dominant coherent Pd silicide/Si growth interface subsequently advances by lateral propagation of ledges, driven by catalytic dissociation of disilane and coupled Pd and Si diffusion. Our results establish an atomistic framework for nanowire assembly from solid catalysts, relevant also to their contact formation.

In situ observations of catalyst dynamics during surface-bound carbon nanotube nucleation.

We present atomic-scale, video-rate environmental transmission electron microscopy and in situ time-resolved X-ray photoelectron spectroscopy of surface-bound catalytic chemical vapor deposition of single-walled carbon nanotubes and nanofibers. We observe that transition metal catalyst nanoparticles on SiOx support show crystalline lattice fringe contrast and high deformability before and during nanotube formation. A single-walled carbon nanotube nucleates by lift-off of a carbon cap. Cap stabilization and nanotube growth involve the dynamic reshaping of the catalyst nanocrystal itself. For a carbon nanofiber, the graphene layer stacking is determined by the successive elongation and contraction of the catalyst nanoparticle at its tip.