相关论文: Carbon nanotubes with atomic impurities on boron n…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low…
Dielectric breakdown has historically been of great interest from the perspectives of fundamental physics and electrical reliability. However, to date, the anisotropy in the dielectric breakdown has not been discussed. Here, we report an…
The unusual band structure of carbon nanotubes (CNs) results in their remarkable magnetic properties. The application of magnetic field parallel to the tube axis can change the conducting properties of the CN from metallic to semiconducting…
Motivated by the ongoing interest in nitrides as materials for spintronics applications we have studied effects of doping with magnetic transition-metal elements (T=Cr,Mn,Fe,Co and Ni) on the electronic properties of semiconducting scandium…
The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…
Since hydrogen fuel involves the highest energy density among all fuels, production of this gas through the solar water splitting approach has been suggested as a green remedy for greenhouse environmental issues due to extensive consumption…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow and isolate…
Recently, two-dimensional nanostructures consisting of alternating graphene and boron nitride (BN) domains have been synthesized. These systems possess interesting electronic and mechanical properties, with potential applications in…
Networks of semiconducting single-walled carbon nanotubes (SWNTs) are a promising material for thermoelectric energy harvesting due to their mechanical flexibility, solution processability, high Seebeck coefficients and high electrical…
Junctionless transistors made of silicon have previously been demonstrated experimentally and by simulations. Junctionless devices do not require fabricating an abrupt source-drain junction and thus can be easier to implement in aggressive…
In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…
Employing strong electrostatic gating (liquid-ion gating), the position of the Fermi energy E_F (relative to the charge-neutrality point) was determined in multi-wall carbon nanotubes (MWNTs). E_F is negative (hole doping) and amounts to…
We apply first-principles calculations to study the electronic structure of boron nitride nanocones with disclinations of different angles $\theta=n\pi/3$. Nanocones with odd values of $n$ present antiphase boundaries that cause a reduction…
Carbon nanotubes (CNT) have been recently proposed as stabilizers against grain growth that can happen even at low temperature inputs in nano-crystalline and ultrafine-grained materials obtained by severe plastic deformation. In this study,…
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…
In this work we present an ab-initio study of electronic properties of 1 dimensional (1D) core-shell nanostructures made of MS2 (MoS2, WS2) or BN armchair nanotube encapsulated carbon nanotubes (CNT). With local density approximation (LDA)…
Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the…
We study the effect of electron doping on the bonding character and stability of two-dimensional (2D) structures of elemental boron, called borophene, which is known to form many stable allotropes. Our {\em ab initio} calculations for the…
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…