Related papers: Structure of Carbon Nanotube-dendrimer composite
We study sequence dependent complexation between oligonucleotides (single strand DNA) and various generation ethylene diamine (EDA) cored poly amido amide (PAMAM) dendrimers through atomistic molecular dynamics simulations accompanied by…
A high-resolution dielectric and calorimetric study of the isotropic (I) to nematic (N) phase transition of carbon nanotube (CNT) dispersed liquid crystal (LC) functional composites as a function of CNT concentration is reported. The…
Structural identification of double-walled carbon nanotubes (DWNT) is presented through a robust procedure based on the latest generation of transmission electron microscope, making possible a statistical analysis based on numerous…
We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer…
High pressure Raman experiments were performed on bundled double wall carbon nanotubes (DWCNTs). We observe peculiar regularity in the strength of the inner-outer tube (intratube) interaction, which is attributed to the interplay between…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
Short-fiber-reinforced polymer composites are increasingly used in engineering applications and industrial products owing to their unique combination of superior mechanical properties, and relatively easy and low cost manufacturing process.…
Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based…
Human transport to Mars and deep space explorations demand the development of new materials with extraordinary high performance-to-mass ratios. Promising candidates to fulfill these requirements are ultrahigh strength lightweight (UHSL)…
Since the first-principles calculations in quantum chemistry precisely provide possible configurations of carbon atoms in nanocarbons, we have analyzed the geometrical structure of the possible carbon configurations and found that there…
The microstructure, electronic structure, and chemical bonding of chromium carbide thin films with different carbon contents have been investigated with high-resolution transmission electron microscopy, electron energy loss spectroscopy and…
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…
For a capacitor made of a semiconducting carbon nanotube (CNT) suspended above a metallic gate, Coulomb correlations between individual electrons can lead to a capacitance that is much larger than the geometric capacitance. We argue that…
We report the results of a model calculation for studying the effects of hydrostatic pressure on a bunch of carbon nanotubes. At pressures that we work with, the deformation in axial direction comes out to be negligibly small. We find that…
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…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
Structure of the spin-orbit coupling varies from material to material and thus finding the correct spin-orbit coupling structure is an important step towards advanced spintronic applications. We show theoretically that the curvature in a…
A theoretical analysis of the superconductivity observed recently in Carbon nanotubes is proposed. We argue that ultra-small (diameter $ \sim 0.4 nm$) single wall carbon nanotubes (with transition temperature $T_c\sim 15 ^{o}K$) and…
Self-locking structures are often studied in macroscopic energy absorbers, but the concept of self-locking can also be effectively applied at the nanoscale. In particular, we can engineer self-locking mechanisms at the molecular level…
When continued device scaling reaches the ultimate limit imposed by atoms, technology based on atomically precise structures is expected to emerge. Device fabrication will then require building blocks with identified atomic arrangements and…