Related papers: Site-selective conductance of sidewall functionali…
In this article, we show that it is possible to differentiate between water adsorbed on the outside of a single-walled carbon nanotube and that confined inside. To this aim, we measured the electronic transport of a carbon nanotube based…
Carbon nanotubes (CNTs) are nonlinear high-Q resonators with strong coupling to single-electron tunneling. We begin by describing several methods to detect the flexural motion of a CNT resonator. Next, we illustrate how single-electron…
For similar disorder, the backscattering contribution to the conductivity, irrelevant for metallic single-walled carbon nanotubes, is proved to become more significant for doped semiconducting systems, as found in experiments. In the case…
The conductivity of carbon nanotube (CNT) networks can be improved markedly by doping with nitric acid. In the present work, CNTs and junctions of CNTs functionalized with NO$_3$ molecules are investigated to understand the microscopic…
A single-walled carbon nanotube presents a seamless cylindrical graphene surface and is thus an ideal adsorption substrate for investigating the physics of atoms and molecules in two dimensions and approaching the one-dimensional limit.…
We have measured the differential conductance dI/dV of individual multi-wall carbon nanotubes (MWNT) of different lengths. A cross-over from wire-like (long tubes) to dot-like (short tubes) behavior is observed. dI/dV is dominated by random…
A suspended carbon nanotube can act as a nanoscale resonator with remarkable electromechanical properties and the ability to detect adsorption on its surface at the level of single atoms. Understanding adsorption on nanotubes and other…
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…
In a theoretical study of gas adsorption on carbon nanotubes (CNT) nonequilibrium processes of ionization, polarization, surface diffusion and desorption of atoms are considered self-consistently. The approach is based on Zubarev's method…
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…
We report the electrical responses of thin and thick single-walled carbon nanotube (SWNT) networks to N2 and O2 adsorption. In the surface desorbed state exposure to N2 and O2 provide an increase in conductance of thin and thick SWNT…
We analyze two scattering mechanisms that might cause intrinsic electronic resistivity in multi-wall carbon nanotubes: scattering by dopant impurities, and scattering by inter-tube electron-electron interaction. We find that for typically…
We performed studies of coherent electronic transport through a single walled carbon nanotube. In the calculations multiple scattering on the contacts and interference processes were taken into account. Conductance is a composition of…
We investigated the interaction of the pesticide chlorothalonil (CLT) with single-walled carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) using density functional theory (DFT) with the SIESTA code. Structural, energetic, and…
In recent experiments, unprecedentedly large values for the conductivity of electrolytes through carbon nanotubes (CNTs) have been measured, possibly owing to flow slip and a high pore surface charge density whose origin is still unknown.…
An overview is presented of the various phases predicted to occur when gases are absorbed within a bundle of carbon nanotubes. The behavior may be characterized by an effective dimensionality, which depends on the species and the…
Linear transport through a single-walled carbon nanotube ring (CNR), pierced by a magnetic field and capacitively coupled to a gate voltage source, is investigated starting from a model of interacting $p_z$-electrons. The dc-conductance,…
Recent air pollution issues have raised significant attention to develop efficient air filters, and one of the most promising candidates is that enabled by nanofibers. We explore here selective molecular capture mechanism for volatile…
We demonstrate a "bottom up" approach to the computational design of a multifunctional chemical sensor. General techniques are employed for describing the adsorption coverage and resistance properties of the sensor based on density…
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…