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We have studied zig-zag boron nitride (BN) nanotubes doped with the Ni hexagonal-closepacked nanowire. The doped BN nanotubes are ferromagnetic metals with substantial magnetism. Some special magnetic properties resulting from the…
We calculate effects of an applied helically symmetric potential on the low energy electronic spectrum of a carbon nanotube in the continuum approximation. The spectrum depends on the strength of this potential and on a dimensionless…
In this letter, we demonstrate a strong dependence of the electrostatic deformation of doubly-clamped single-walled carbon nanotubes on both the field strength and the tube length, using molecular simulations. Metallic nanotubes are found…
Liquid crystalline (LC) mixtures of cholesteryl oleyl carbonate (COC) and 4-pentyl-4'-cyanobiphenyl (5CB), as well as dispersions of single-walled carbon nanotubes (NTs) in these mixtures, were studied by means of selective reflection…
Doping of semiconductors is essential in modern electronic and photonic devices. While doping is well understood in bulk semiconductors, the advent of carbon nanotubes and nanowires for nanoelectronic and nanophotonic applications raises…
We report magnetism in carbon doped ZnO. Our first-principles calculations based on density functional theory predicted that carbon substitution for oxygen in ZnO results in a magnetic moment of 1.78 $\mu_B$ per carbon. The theoretical…
First-principles DFT calculations on the hydrides Ca2NiH6, Sr2NiH6, and Ba2NiH6 reveal key thermodynamic properties. These compounds exhibit increasing entropy and heat capacity with temperature, and are thermodynamically stable at elevated…
$\beta$-Ga$_2$O$_3$ is gaining attention as a promising semiconductor for next-generation high-power, high-efficiency, and high-temperature electronic devices, thanks to its exceptional material properties. However, challenges such as the…
Defects in single-walled carbon nanotubes (SWCNTs) degrade their mechanical,electrical, and thermal properties, limiting their potential applications. To realize the diverse applications of SWCNTs, it is essential to enhance their…
The formation of monodisperse, tunable sized, alloyed nanoparticles of Ni, Co, or Fe with Pt and pure Pt nanoparticles attached to carbon nanotubes has been investigated. Following homogeneous nucleation, nanoparticles attach directly to…
Inhomogeneously doped thermoelectric nanomaterials with a delta-function electronic density of states can operate with Carnot efficiency in the absence of phonon heat leaks. Here we self-consistently calculate the efficiency and power from…
The trapping mechanisms for hydrogen isotopes in Al-X Cu (0.0 at.% < X < 3.5 at.%) alloys were investigated using thermal desorption spectroscopy (TDS), electrical conductivity, and differential scanning calorimetry. Constant heating rate…
This investigation deals with the effect of growth temperature on the growth behavior of Fe filled multiwalled carbon nanotubes (MWCNTs). Carbon nanotube (CNT) synthesis was carried out in a thermal chemical vapor deposition (CVD) reactor…
We report wide-range optical investigations on transparent conducting networks made from separated (semiconducting, metallic) and reference (mixed) single-walled carbon nanotubes, complemented by transport measurements. Comparing the…
We have studied structural and superconducting properties of MgB2 thin films doped with carbon during the hybrid physical-chemical vapor deposition process. A carbon-containing metalorganic precursor bis(cyclopentadienyl)magnesium was added…
We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a…
Using first principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the…
With the relatively high critical temperature (Tc) of 39 K1 and the high critical current density (Jc) of > 100000 A/cm2 in moderate fields, magnesium diboride (MgB2) superconductors could offer the promise of important large-scale and…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…
The classical ground state magnetic response of fullerene molecules that resemble capped carbon nanotubes is calculated within the framework of the antiferromagnetic Heisenberg model. It is found that the magnetic response depends subtly on…