Related papers: Windowed Carbon Nanotubes for Efficient CO2 Remova…
The electrolysis of CO$_2$ in molten carbonate has been introduced as an alternative mechanism to synthesize carbon nanomaterials inexpensively at high yield. Until recently, CO$_2$ was thought to be unreactive, making its removal a…
We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models, SPC/Fw and SPC/FH, we found that the number of the number…
Single wall carbon nanotubes cooled to cryogenic temperatures are outstanding electronic as well as nano-electromechanical model systems. To probe a largely unperturbed system, we measure a suspended carbon-nanotube device where the…
The use of oxide glasses is pervasive throughout everyday amenities and commodities. Such glasses are typically electrical insulators, and endowing them with electrical conductivity without changing their salutary mechanical properties,…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…
Carbon nanotubes tend to collapse when their diameters exceed a certain threshold, or when a sufficiently large external pressure is applied on their walls. Their radial stability of tubes has been studied in each of these cases, however a…
We calculate the van der Waals energy of a C60 molecule when it is encapsulated in a single-walled carbon nanotube with discrete atomistic structure. orientational degrees of freedom and longitudinal displacements of the molecule are taken…
Due to its large surface area and strongly attractive potential, a bundle of carbon nanotubes is an ideal substrate material for gas storage. In addition, adsorption in nanotubes can be exploited in order to separate the components of a…
Growth of carbon nanotubes (CNTs) was performed by atmospheric pressure chemical vapour deposition (APCVD) of propane on Si(111) with a pre-treated Ni overlayer acting as a catalyst. Prior to the growth of CNTs, a thin film of Ni was…
We investigate the adsorption and diffusion behaviors of CO2, CH4, and N2 in interfacial systems composed of a polymer of intrinsic microporosity (PIM-1) and amorphous silica using grand canonical Monte Carlo (GCMC) and molecular dynamics…
Combining equilibrium and non-equilibrium molecular dynamics simulations with accurate carbon potentials, we determine the thermal conductivity $\lambda$ of carbon nanotubes and its dependence on temperature. Our results suggest an…
A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon…
Carbon Nanotubes (CNs) are made of tubular graphite layers. These macromolecules have interesting features which are generally introduced in the first chapter of the thesis. In the rest of the thesis, the light conduction in metallic CNs is…
Understanding interfacial mass transfer during dissolution of gas in a liquid is vital for optimising large-scale carbon capture and storage operations. While the dissolution of CO2 bubbles in reservoir brine is a crucial mechanism towards…
The present work deals with the synthesis of crystalline carbon nitride thin films by microwave plasma assisted chemical vapour deposition in N$_2$/CH$_4$ gas mixture. The discharge analysis by optical emission spectroscopy shows that the…
Metamaterials exhibiting hyperbolic dispersion enable unprecedented control over light-matter interactions, from sub-diffraction imaging to enhanced spontaneous emission. However, conventional plasmonic hyperbolic metamaterials suffer from…
Gas separation using polymer membranes promises to dramatically drive down the energy, carbon, and water intensity of traditional thermally driven separation, but developing the membrane materials is challenging. Here, we demonstrate a…
Interfacial friction plays a crucial role in the mechanical properties of carbon nanotube based fibers, composites, and devices. Here we use molecular dynamics simulation to investigate the pressure effect on the friction within carbon…
Metallic cantilever in high vacuum atomic force microscope has been used as anode for field emission experiments from densely packed vertically aligned multi-walled carbon nanotubes. The high spatial resolution provided by the scanning…
In the past decade, semiconducting carbon nanotube thin films have been recognized as contending materials for wide-ranging applications in electronics, energy, and sensing. In particular, improvements in large-area flexible electronics…