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The experiment was conducted to synthesize carbon nanospheres of different sizes by controlling the temperature in polycondensation reaction of glucose under hydrothermal process. The surface morphology, structural, optical, and thermal…
The first order phase transition of a water cluster confined in a dynamic single-walled carbon nanotube is investigated using a classical molecular dynamics (MD) method. The formation of ice-nanotube is monitored through the structure…
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport following an ordered 1D structure…
Sorbent materials are a promising alternative to advance hydrogen storage technologies. The general disadvantage is the relatively weak solid-gas interaction and adsorption energy, providing low gravimetric and volumetric capacities and…
This dissertation aims to demonstrate that photoluminescence spectroscopy could be an efficient technique of functionalized carbon nanotube detection and imaging. The advances in nanotechnology and the potential growth in carbon nanotubes…
Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the single-walled carbon nanotubes. It is found that if the 1D carbon…
Diamond and diamond-like carbon (DLC) are used as coating materials for numerous applications, ranging from biomedicine to tribology. Recently, it has been shown that the hydrophilicity of the carbon films can be enhanced by silicon doping,…
Capping ligands are crucial to synthesize colloidal nanoparticles with novel functional properties. However, the interaction between capping ligands and their interaction with the crystallographic surfaces of nanoparticles during colloidal…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
Using bosonization we derive the dc conductance G(L,T) of an interacting quantum wire with good contacts including current relaxing backscattering and Umklapp processes. Our result yields the dependence of the conductance on length L and…
Halogen compounds are capable of playing an important role in the manipulation of nanoparticle shapes and properties. In a new approach, we examined the shape evolution of CdSe nanorods to hexagonal pyramids in a hot-injection synthesis…
Fabrics of continuous fibers of carbon nanotubes (CNTFs) are attractive materials for multifunctional energy storage devices, either as current collector, or as active material. Despite a similar chemical composition,…
The end section of a carbon nanotube, cut by acid treatment, contains hydrophillic oxygen groups. Water molecules can self-assemble around these groups to seal off a carbon nanotube and form an "aqueous valve". Molecular dynamics…
Recent studies of single-walled carbon nanotubes (CNTs) in aqueous media have showed that water can significantly affect the tube mechanical properties. CNTs under hydrostatic compression can preserve their elastic properties up to large…
The attachment of semiconducting nanoparticles to carbon nanotubes is one of the most challenging subjects in nanotechnology. Successful high coverage attachment and control over the charge transfer mechanism and photo-current generation…
Carbon-based materials like nanotubes and graphene are heavily investigated as future CMOS-like devices and in interconnect applications. While much of the interest has been devoted to the device aspects in competition to conventional CMOS…
We show that a carbon nanotube can serve as a functional electric weak link performing photo-spintronic transduction. A spin current, facilitated by strong spin-orbit interactions in the nanotube and not accompanied by a charge current, is…
We use an atom-atom potential between carbon atoms to obtain an interaction potential between nanotubes (assumed rigid), thereby calculating the cohesive energy of a bunch of nanotubes in hexagonal two dimensional packing. The model…
Condensation of water on metallic surfaces is critical for multiple energy conversion processes. Enhancement in condensation heat transfer efficiency often requires surface texturing and hydrophobicity, usually achieved through coatings, to…
The equation of state of H2 adsorbed in the interstitial channels of a carbon nanotube bundle has been calculated using the diffusion Monte Carlo method. The possibility of a lattice dilation, induced by H2 adsorption, has been analyzed by…