Related papers: 4He adsorbed inside (10,10) single walled carbon n…
The energy-level structure of a single atom strongly coupled to the mode of a high-finesse optical cavity is investigated. The atom is stored in an intracavity dipole trap and cavity cooling is used to compensate for inevitable heating. Two…
An extensive first-principles study of fully exo-hydrogenated zigzag (n,0) and armchair (n,n) single wall carbon nanotubes (C$_n$H$_n$), polyhedral molecules including cubane, dodecahedrane, and C$_{60}$H$_{60}$ points to crucial…
The classical integral cross sections of large superfluid 4He_N droplets and the number of atoms in the droplets (N=10^3-10^4) have been measured in molecular beam scattering experiments. These measurements are found to be in good agreement…
We demonstrate a high electron conductivity (> 10^2 S/cm and up to 10^3 S/cm) of tungsten suboxide W18O(52.4-52.9)(or equivalently WO(2.91-2.94)) nanotubes (2 to 3 nm in diameter, ca. micrometer long). The conductivity is measured in the…
In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armchair and zigzag). To analyze different diffusive mechanisms,…
The current carrying capacity of ballistic electrons in carbon nanotubes that are coupled to ideal contacts is analyzed. At small applied voltages, where electrons are injected only into crossing subbands, the differential conductance is…
The kinetics of helium gas sorption by a C60 powder and subsequent desorption of the 4He impurity from the saturated powder has been investigated in the temperature interval T = 2-292 K. Evidence is obtained that supports the existence of…
Porous nanocarbon materials are seen as potential excellent materials for hydrogen storage due to their high surface area, excellent cycling stability and favorable kinetics. This study employs Density Functional Theory (DFT) simulations to…
Most of the works devoted so far to the electronic band structure of multiwall nanotubes have been restricted to the case where the individual layers have the same helicity. By comparison, much less is known on the electronic properties of…
We calculate the van der Waals energy of a C60 molecule when it is encapsulated in a single-walled carbon nanotube with discrete atomistic structure. orientational degrees of freedom and longitudinal displacements of the molecule are taken…
We present the molecular dynamics study of benzene molecules confined into the single wall carbon nanotube. The local structure and orientational ordering of benzene molecules are investigated. It is found that the molecules mostly group in…
The realization of experimental platforms exhibiting one dimensional (1D) quantum phenomena has been elusive, due to their inherent lack of stability, with a few notable exceptions including spin chains, carbon nanotubes and ultracold…
Atomic oxygen adsorption on the Mo(112) surface has been investigated by means of first-principles total energy calculations. Among the variety of possible adsorption sites it was found that the bridge sites between two Mo atoms of the…
We characterized the energy band dispersion near the Fermi level in single-walled carbon nanotubes using low-temperature scanning tunneling microscopy. Analysis of energy dependent standing wave oscillations, which result from quantum…
The phase behavior of hydrocarbon fluids confined in porous media has been reported to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the…
We studied optical absorption of single-walled carbon nanotubes by varying the dielectric environment. For the two different components of the broad UV absorption feature conventionally referred to as the pi-plasmon, we find that the…
The adsorption of ethylene molecule on neutral, anionic and cationic gold clusters consisting of up to 10 atoms has been investigated using density-functional theory. It is demonstrated that C2H4 can be adsorbed on small gold clusters in…
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…
Within Density Functional Theory, we have calculated the energy of the transitions from the ground state to the first two excited states in the electron bubbles in liquid helium at pressures from zero to about the solidification pressure.…
We describe a film of highly-aligned single-walled carbon nanotubes that acts as an excellent terahertz linear polarizer. There is virtually no attenuation (strong absorption) when the terahertz polarization is perpendicular (parallel) to…