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Three-terminal devices with conduction channels formed by quasi-metallic carbon nanotubes (CNT) are shown to operate as nanotube-based field-effect transistors under strong magnetic fields. The off-state conductance of the devices varies…
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,…
Carbon nanotubes (CNTs) are stiff, all-carbon macromolecules with diameters as small as one nanometer and few microns long. Solutions of CNTs in chlorosulfonic acid (CSA) follow the phase behavior of rigid rod polymers interacting via a…
The fast flow rate of water through nanochannels has promising applications in desalination, energy conversion, and nanomedicine. We have used molecular dynamics simulations to show that the water molecules passing through a wide…
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…
The electrical conductivity of the polyimide R-BAPB polymer filled with single-wall carbon nanotubes (CNT) with chirality (5,5) is modeled using a multi-scale approach. The modeling starts with molecular dynamics simulations of…
Molecular level components, like carbon multiwalled nanotubes (MWNT), show great potential for future nanoelectronics. At low frequencies, only the outermost carbon layer determines the transport properties of the MWNT. Due to the…
Carbon Nanotubes have shown to be an attractive option in the race to find a replacement to silicon-based transistors, due to its high electrical conductivity, extraordinary mechanical strength, and thermal conductivity. However, challenges…
Theory of the remote Coulomb impurity scattering in single--wall carbon nanotubes is developed within one--electron approximation. Boltzmann equation is solved within drift--diffusion model to obtain the tube conductivity. The conductivity…
Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…
We have measured IV-curves of multiwalled carbon nanotubes using end contacts. At low voltages, the tunneling conductance obeys non-Ohmic power law, which is predicted both by the Luttinger liquid and the environment-quantum-fluctuation…
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…
We present an atomistic self-consistent study of the electronic and transport properties of semiconducting carbon nanotube in contact with metal electrodes of different work functions, which shows simultaneous electron and hole doping…
In bulk semiconductor materials, the insulator-metal transition (IMT) is governed by the concentration of conduction electrons. Meanwhile, even when fabricated from metallic building blocks, nanocrystal films are often insulating with…
Careful research on different materials reveals that the material properties are mostly affected by the size of it. Material size down to nanometer scale exhibits some remarkable properties, resulting in unique physical and chemical…
Investigating the correlations between dynamic and static storage properties of nanoporous electrodes is beneficial for further progress of supercapacitors-based technologies. While the dependence of the capacitance on the pores' sizes is…
The surface reconstruction of the Fe catalyst films due to high temperature processing in hydrogen prior to nanotube nucleation and its effect on the growth morphologies of partially filled carbon nanotubes (CNTs) synthesized using…
We present a first-principles study of semiconducting carbon nanotubes adsorbed on the unpassivated Si(100) surface. We have found metallicity for the combined system caused by n-doping of the silicon slab representing the surface by the…
Macroscopic ensembles of nanocarbons, such as fibres of carbon nanotubes (CNT), are characterised by a complex hierarchical structure combining coherent crystalline regions with a large porosity arising from imperfect packing of the large…
Carbon Nanotubes (CNTs) of sufficiently large diameter and a few layers self-collapse into flat ribbons at atmospheric pressure, forming bundles of stacked CNTs that maximize packing and thus CNT interaction. Their improved stress transfer…