Related papers: Site-selective conductance of sidewall functionali…
We will study the competitive effect between the transport of a quantum dot adsorbed to a ballistic channel and laterally coupled to a single-walled carbon nanotube (SWNT). We will use the tight-binding approach to analytically write the…
We predict properties of triplet excited states in single-walled carbon nanotubes (CNTs) using a time-dependent density-functional theory (TD-DFT). We show that the lowest triplet state energy in CNTs to be about 0.2-0.3 eV lower than the…
The mechanism of the selective dispersion of single-walled carbon nanotubes (CNTs) by polyfluorene polymers is studied in this paper. Using extensive molecular dynamics simulations, it is demonstrated that diameter selectivity is the result…
Single-wall carbon nanotubes are almost ideal systems for the investigation of exotic many-body effects due to non-Fermi liquid behavior of interacting electrons in one dimension. Recent theoretical and experimental results are reviewed…
Using a scattering technique based on a parametrized linear combination of atomic orbitals Hamiltonian, we calculate the ballistic quantum conductance of multi-wall carbon nanotubes. We find that inter-wall interactions not only block some…
We investigate the effects of impurity scattering on the conductance of metallic carbon nanotubes as a function of the relative separation of the impurities. First we compute the conductance of a clean (6,6) tube, and the effect of model…
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…
As the dimensions of electronic devices approach those of molecules, the size, geometry and chemical composition of the contact electrodes play increasingly dominant roles in device functions. It is shown here that single-walled carbon…
The strikingly different charge transport behaviors in nanocomposites of multiwall carbon nanotubes (MWNTs) and conducting polymer polyethylene dioxythiophene - polystyrene sulfonic acid (PEDOT-PSS) at low temperatures are explained by…
This paper is the first one of a series of two articles in which we revisit the optical properties of single-walled carbon nanotubes (SWNT). Produced by rolling up a graphene sheet, SWNT owe their intriguing properties to their cylindrical…
Behaviour of hot electrons under the influence of dc field in carbon nanotubes is theoretically considered. The study was done semi-classically by solving Boltzmann transport equation with the presence of the hot electrons source to derive…
First-principles calculations have been performed to study the effects of adsorbates (CO molecules and O atoms) and defects on electronic structures and transport properties of Au nanotubes (Au(5, 3) and Au(5, 5)). For CO adsorption,…
Atomistic density functional theory (DFT) calculations of the capacitance between a metallic cylindric gate and a carbon nanotube (CNT) are reported. Results stressing the predominant effect of quantum capacitance in limiting or even…
Interaction of single-walled carbon nanotubes with electron donor and acceptor molecules causes significant changes in the electronic and Raman spectra, the relative proportion of the metallic species increasing on electron donation through…
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…
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…
Carbon Nanotubes (CNs) are made of tubular graphite layers. These macromolecules have interesting features which are generally introduced in the first chapter of the thesis. In the rest of the thesis, the light conduction in metallic CNs is…
We analytically demonstrate helicity determined selection rules for intershell tunneling in double-walled nanotubes with commensurate (c-DWNTs) and incommensurate (i-DWNTs) shells. For i-DWNTs the coupling is negligible between lowest…
Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO,…
The structures and symmetries of single-walled carbon nanotubes (SWNTs) are introduced in detail. The physical properties of SWNTs induced by their symmetries can be described by tensors in mathematical point of view. It is found that there…