Related papers: Triplet absorption in carbon nanotubes: a TD-DFT s…
We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…
We use density functional theory (DFT) to investigate the electronic structure and chemical properties of gold nanoparticles. Different structural families of clusters are compared. For up to 60 atoms we optimize structures using DFT-based…
The dependence of the energy of interwall interaction in double-walled carbon nanotubes (DWNT) on the relative position of walls has been calculated using the density functional method. This dependence is used to evaluate forces that are…
Carbon nanotube field-effect transistors (CNT FETs) have been proposed as possible building blocks for future nano-electronics. But a challenge with CNT FETs is that they appear to randomly display varying amounts of hysteresis in their…
In a single-walled carbon nanotube, we observe the spin-1/2 Kondo effect. The energy of spin-resolved Kondo peaks is proportional to magnetic field at high fields, contrary to recent reports. At lower fields, the energy falls below this…
Self-locking structures are often studied in macroscopic energy absorbers, but the concept of self-locking can also be effectively applied at the nanoscale. In particular, we can engineer self-locking mechanisms at the molecular level…
In many field electron emission experiments on single-walled carbon nanotubes (SWCNTs), the SWCNT stands on one of two well-separated parallel plane plates, with a macroscopic field FM applied between them. For any given location "L" on the…
We show that a simple first-principles correction based on the difference between the singlet-triplet CO excitation energy values obtained by DFT and high-level quantum chemistry methods yields accurate CO adsorption properties on a variety…
We investigate the properties of conduction electrons in single-walled armchair carbon nanotubes (SWNT) in the presence of both transverse electric and magnetic fields. We find that these fields provide a controlled means of tuning…
Carbon nanotubes are quantum sources whose emission can be tuned at telecommunication wavelengths by choosing the diameter appropriately. Most applications require the smallest possible linewidth. Therefore, the study of the underlying…
The energy absorption on nanometer scale is vital for many bio and chemical systems. We report here that a two times amplification in absorption efficiency can be achieved by water molecules confined in carbon nanotubes with small radius,…
Carbon fibers, especially those constructed from carbon nanotubes (CNTs), have attracted intensive interests from both scientific and engineering communities due to their outstanding physical properties. In this workHere we report, we find…
The electronic properties of as-prepared and purified unoriented single-walled carbon nanotube films were studied by transmission measurements over a broad frequency range (far-infrared up to visible) as a function of temperature (15 K -…
We report electrical transport measurements through a semiconducting single-walled carbon nanotube (SWNT) with three additional top-gates. At low temperatures the system acts as a double quantum dot with large inter-dot tunnel coupling…
We report ultra-high density assembly of aligned single walled carbon nanotubes (SWNTs) two dimensional arrays via ac dielectrophoresis using high quality surfactant free and stable SWNT solutions. After optimization of frequency and…
On the basis of the spin-polarized density functional theory calculations, we demonstrate that partially-open carbon nanotubes (CNTs) observed in recent experiments have rich electronic and magnetic properties which depend on the degree of…
We measure the resistance and frequency-dependent gate capacitance of carbon nanotube (CNT) thin films in ambient, vacuum, and under low-pressure (10E-6 torr) analyte environments. We model the CNT film as an RC transmission line and show…
The incorporation of carbon nanotubes (CNTs) within polymer hosts offers a great platform for the development of advanced thermoelectric (TE) composite materials. Over the years, several CNT/polymer composite formulations have been…
Biological systems are known to be highly transparent to 700-1100nm near-infrared (NIR) light. It is shown here that the strong optical absorbance of single-walled carbon nanotubes (SWNTs) in this special spectral window, an intrinsic…
A lattice gas model is used to study the equilibrium properties and desorption kinetics of CO on Ru(0001). With interactions obtained from density functional theory (DFT) the phase diagram and temperature programmed desorption (TPD) spectra…