Related papers: Bundling up carbon nanotubes through Wigner defect…
Carbon nanotube (CNT) fiber is formed by assembling millions of individual tubes. The assembly feature provides the fiber with rich interface structures and thus various ways of energy dissipation, as reflected by the non-zero loss tangent…
A periodic potential applied to a nanotube is shown to lock electrons into incompressible states that can form a devil's staircase. Electron interactions result in spectral gaps when the electron density (relative to a half-filled Carbon…
Electronic compressibility, the second derivative of ground state energy with respect to total electron number, is a measurable quantity that reveals the interaction strength of a system and can be used to characterize the orderly…
Carbon nanotubes are a feverishly-studied topic in the scientific community as of late. Mathematically, they can be modeled with a quantum graph. Here we consider a structure somewhat similar to carbon nanotubes, another quantum graph that…
Three problems are considered in which inhomogeneous broadening can yield unusual consequences. One problem involves the energy levels of atoms moving within nanopores of nearly cylindrical cross section. A second involves atomic or…
In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…
Formation of twin boundaries during the growth of semiconductor nanowires is very common. However, the effects of such planar defects on the electronic and optical properties of nanowires are not very well understood. Here, we use a…
We use a multiscale procedure to derive a simple continuum model of multiwalled carbon nanotubes that takes into account both strong covalent bonds within graphene layers and weak bonds between atoms in different layers. The model predicts…
In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp_3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp_3 to sp_2 hybridized carbon…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…
Fundamentally new families of carbon single walled nanotubes are proposed. These nanotubes, called graphynes, result from the elongation of covalent interconnections of graphite-based nanotubes by the introduction of yne groups. Similarly…
The collective tunneling of a Wigner necklace - a crystal-like state of a small number of strongly interacting electrons confined to a suspended nanotube and subject to a double well potential - is theoretically analyzed and compared with…
We show that quantum confinement in the valence and conduction bands of semiconducting single-walled carbon nanotubes can be engineered by means of artificial defects. This ability holds potential for designing future nanotube-based quantum…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
Controlling the bandgap of carbon nanostructures is key to the development and mainstream application of carbon-based nanoelectronic devices. We report density functional theory calculations of the effect of silicon impurities on the…
We present a first-principles study of the migration and recombination of edge defects (carbon adatom and/or vacancy) and their influence on electrical conductance in zigzag graphene nanoribbons (ZGNRs). It is found that at room…
The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated…
We analyze the relationship between our group's results and those of three recent papers about gases in interstitial channels within nanotube bundles. In particular, we explain the relation between our prediction about bundle dilation upon…
Carbon nanotube's large electro-mechanical coupling and robustness makes them attractive for applications where bending and buckling is present. But the nature of this coupling is not well understood. Existing theory treats only weak and…
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…