Related papers: Why do nanotubes grow chiral?
High performance nanocomposites require well dispersion and high alignment of the nanometer-sized components, at a high mass or volume fraction as well. However, the road towards such composite structure is severely hindered due to the easy…
We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene expand upon electron injection. (2) Upon hole injection,…
We show that the photoluminescence intensity of single-walled carbon nanotubes is much stronger in tubes with large chiral angles - armchair tubes - because exciton resonances make the luminescence of zigzag tubes intrinsically weak. This…
Dielectric properties of carbon nanotubes (CNT) are calculated with taking into account the deviation of carbon valence electrons from to be placed exactly on the CNT surface. The results show difference to the usually applied 2D electron…
The fundamental question of how chirality affects the electronic coupling of a nanotube to metal contacts is important for the application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes…
This paper proposes a bottom-up sequence of modeling steps leading to a nanoscopically informed continuum, and as such macroscopic, theory of single-walled carbon nanotubes (SWCNTs). We provide a description of the geometry of the two most…
The relaxation of twist in elastic filaments often drives conformational changes. We explore this paradigm using all-atom computations and report the formation of novel supercoiled shapes in individual carbon nanotubes (CNTs). Decreasing…
A vertical partial gate carbon nanotube (CNT) field-effect transistor (FET), which is amenable to the vertical CNT growth process and offers the potential for a parallel CNT array channel, is simulated using a self-consistent atomistic…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2…
Optical nanofibers are waveguides known for their unique property to produce intense evanescent fields which have subwavelength transverse confinement easily extendable over thousands of wavelengths along the fiber axis. Moreover,…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
We study the effects of covalent functionalization of single wall carbon nanotubes (CNT) on their elastic properties. We consider simple organic molecules -NH, -NH2, -CH2, -CH3, -OH attached to CNTs' surface at various densities. The…
Molecular dynamics (MD) simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) force fields were conducted to determine the transversely isotropic elastic properties of carbon nanotubes (CNTs) containing vacancies.…
Although significant efforts have been directed towards a selective single wall carbon nanotube synthesis, the resulting diameter and chirality distributions are still too broad and their control remains a challenge. Progress in this…
Coiled Carbon Nanotubes (CCNTs) are increasingly set to become a vital factor in the new generation of nanodevices and energy-absorbing materials due to their outstanding properties. In the following work, the multi-objective optimization…
Based on the similarity between the chiral nanotube and the classical solenoid, we study chiral transport along the circumferential direction in a carbon nanotube. We calculate the chiral conductivity, representing a circumferential current…
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…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…
Carbon fibers, especially those constructed from carbon nanotubes (CNTs), have attracted intensive interests from both scientific and engineering communities due to their outstanding physical properties. In this workHere we report, we find…