Structural Defects in Few-Layer Graphene Nanostructures Synthesized by Self-propagating High-Temperature Synthesis

A quantitative method is proposed to determine of Stone-Wales defects for carbon nanostructures with sp2 hybridization of carbon atoms. The technique is based on the diene synthesis reaction (Diels-Alder reaction). The proposed method was used to determine Stone-Wales defects in the few-layer graphene (FLG) nanostructures synthesized by the self-propagating high-temperature synthesis (SHS) process, in reduced graphene oxide (rGO) synthesized based on the method of Hammers and in the single-walled carbon nanotubes (SWCNT) TUBAL trademark, Russia. Our research has shown that the structure of FLG is free of Stone-Wales defects, while the surface concentration of Stone-Wales defects in TUBAL carbon nanotubes is 1.1×10-5 mol/m2 and 3.6×10-5 mol/m2 for rGO.

Synthesis of a Möbius carbon nanobelt

New technologies for the creation of topological carbon nanostructures have significantly advanced synthetic organic chemistry and materials science. While simple molecular nanocarbons with a belt topology have been constructed recently, analogous carbon nanobelts with a twist, i.e., Möbius carbon nanobelts (MCNBs), have not yet been synthesized due to their high intrinsic strain. Herein, we report the synthesis, isolation, and characterization of a MCNB. Calculations of strain energies suggested that large MCNBs are synthetically accessible. Designing a macrocyclic precursor with an odd number of repeat units led to a successful rational synthetic route via Z-selective Wittig reactions and nickel-mediated intramolecular homocoupling reactions, which yielded (25,25)MCNB over 14 steps. NMR and theoretical calculations revealed that the twist moiety of the Möbius band moves quickly around the MCNB molecule in solution. The topological chirality originating from the Möbius structure was confirmed experimentally using chiral HPLC separation and CD spectroscopy.

On-Surface Synthesis of sp-Carbon Nanostructures

The on-surface synthesis of carbon nanostructures has attracted tremendous attention owing to their unique properties and numerous applications in various fields. With the extensive development of scanning tunneling microscope (STM) and noncontact atomic force microscope (nc-AFM), the on-surface fabricated nanostructures so far can be characterized on atomic and even single-bond level. Therefore, various novel low-dimensional carbon nanostructures, challenging to traditional solution chemistry, have been widely studied on surfaces, such as polycyclic aromatic hydrocarbons, graphene nanoribbons, nanoporous graphene, and graphyne/graphdiyne-like nanostructures. In particular, nanostructures containing sp-hybridized carbons are of great advantage for their structural linearity and small steric demands as well as intriguing electronic and mechanical properties. Herein, the recent developments of low-dimensional sp-carbon nanostructures fabricated on surfaces will be summarized and discussed.

Numerical modelling of non-premixed biogas and LPG combustion to study carbon nanostructures formation in flame

This work presents the numerical simulation of biogas and LPG fuelled diffusion flames in an axisymmetric chamber to study in-depth, the formation mechanism of soot and carbon nanostructures in these flames. The simulation is formulated on the set of transport equations that involve the equations for conservation of mass (the continuity equation), momentum (Navier-Stokes equation), energy, and chemical species. The governing equations are solved using ANSYS FLUENT, which is centered on the finite volume method. To predict the soot formation, one step soot model has been incorporated. The solution of these equations permits the estimation of temperature field and species concentrations inside the flame. Simulation is conducted at fixed fuel flow rate and varied oxygen flow rates. The results reveal that the formation of soot and carbon nanostructures is strongly dependent on peak flame temperature and concentration of precursor species formed in the flame. Since two fuels produce an exclusive chemical environment in the flame, the flame temperature and CO concentration that is conducive to the growth of carbon nanostructures is higher for LPG fuel as compared to that for biogas. Hence, the nucleation process of carbon nanostructures is faster for LPG than biogas. Moreover, the reactions taking place inside the flame at different locations can also be predicted from flame temperature and species concentration at that location. Pyrolysis of fuel occur near the burner exit, followed by the nucleation and surface growth of carbon nanostructures in the nearby region and oxidation of formed carbon nanostructures near the flame tip.