Related papers: Tunable adsorption on carbon nanotubes
We calculated the effects of structural distortions on the electronic structure of carbon nanotubes. The key modification of the electronic structure brought about by bending a nanotube involves an increased mixing of $\sigma$ and…
We develop and solve a continuum theory for the piezoelectric response of nanotubes under applied uniaxial and torsional stresses. We find that the piezoelectric response is controlled by the chiral angle, the aspect ratio, and two…
We compute electrostatic fields induced deformations of cantilevered finite-length metallic carbon nanotubes, using an energy minimization method based on a charge-dipole moment interaction potential combined with an empirical many-body…
Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low…
Quantum transport properties of intermolecular nanotube contacts are investigated. We find that atomic structure in the contact region plays important roles and resistance of contacts varies strongly with geometry and nanotube chirality.…
We investigate the photoconductance of single-walled carbon nanotube-nanocrystalhybrids. The nanocrystals are bound to the nanotubes via molecular recognition. We find that the photoconductance of the hybrids can be adjusted by the…
Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for a number of applications. In this study we used DFT…
In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The results demonstrated a non-uniform dependence of the flow on the…
Electronic many-body correlation effects in one-dimensional (1D) systems such as carbon nanotubes have been predicted to modify strongly the nature of photoexcited states. Here we directly probe this effect using broadband elastic light…
We investigate vibration modes and their Raman activity of single-walled carbon nanotubes that are bent within their intrinsic elastic limits. By implementing novel boundary conditions for density-functional based tight-binding, and using…
We investigate the response of multi-walled carbon nanotubes to mechanical strain applied with an Atomic Force Microscope (AFM) probe. We find that in some samples, changes in the contact resistance dominate the measured resistance change.…
We report a detailed analysis of the optical properties of single wall carbon nanotubes with different mean diameters as produced by laser ablation. From a combined study of optical absorption, high resolution electron energy-loss…
The dynamical conductance of electrically contacted single-walled carbon nanotubes is measured from dc to 10 GHz as a function of source-drain voltage in both the low-field and high-field limits. The ac conductance of the nanotube itself is…
Extensive molecular dynamics simulations of water permeation and ion selectivity of the single-walled carbon nanotubes with the radial deformation are presented . The simulated results indicate that there is a close relationship between the…
Utilizing the line-group symmetry of single-wall nanotubes, we have assigned their electron-energy bands by the symmetry-based quantum numbers. The selection rules for optical absorption are presented in terms of these quantum numbers.…
The charge transport properties of single superconducting tin nanowires, encapsulated by multiwalled carbon nanotubes have been investigated by multi-probe measurements. The multiwalled carbon nanotube protects the tin nanowire from…
Energetically the single sheet of graphite (graphene) is more stable than the nanotube. The energy difference between the two systems can be directly related to the strain energy involved in rolling up the graphene sheet to form the…
We have investigated the diffusion and structure of TIP4P/2005 water confined in carbon nanotubes subjected to external electric fields. A wide range of diameters has been used to show a highly size-dependent behavior of the water…
We investigate the structural parameters, i.e. bond lengths and bond angles of chiral tubes of various chiralities. The procedure used is based on helical and rotational symmetries and Tersoff potential. The results indicate that at ambient…