نتایج جستجو برای: boron nitride
تعداد نتایج: 28595 فیلتر نتایج به سال:
We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...
The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most energetically stable. When an in-plane external electric field is applied perpendicular to the axis of both hydrogenated and hydroxylated ZBNNRs, a spin-polarize...
We present the temperature-dependent carrier mobility of atomically thin MoS2 field-effect transistors on crystalline hexagonal boron nitride (h-BN) and SiO2 substrates. Our results reveal distinct weak temperature dependence of the MoS2 devices on h-BN substrates. The room temperature mobility enhancement and reduced interface trap density of the single and bilayer MoS2 devices on h-BN substra...
Wetting of a single hexagonal boron nitride sheet by liquid water has been investigated by molecular dynamics simulations within a temperature range between 278 and 373 K. The wetting temperature was found to be ~310 K, while the onset of prewetting happens around the much higher temperature of 354 K. The static (hydrogen-bond populations, density profiles, energy per molecule) and dynamic (dif...
The threefold symmetry of planar boron nitride (BN), the III-V analog to graphene, prohibits an electric polarization in its ground state, but this symmetry is broken when the sheet is wrapped to form a BN nanotube. We show that this leads to an electric polarization along the nanotube axis which is controlled by the quantum mechanical boundary conditions on its electronic states around the tub...
The symmetry properties of atomically thin boron nitride (BN) monolayers endow them with piezoelectric properties, whereas the bulk parent crystal of stacked BN layers is not piezoelectric. This suggests potential for unusual electromechanical properties in the few layer regime. In this work, we explore this regime and discover that a bilayer consisting of two BN monolayers exhibits a strong me...
In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first principle methods.Our analysis shows that increasing the electric field in boron-nitride nanotube (BNNT) decreases the Highest Occupied Crystal Orbi...
The effect of divacancies on the stability, structural and electronic properties of carbon and boron nitride nanotubes is studied using the ab initio density functional method. V(B)B(N) is more stable in the boron-rich and less stable in the nitrogen-rich growth conditions, and V(N)N(B) is more stable in the nitrogen-rich than in the boron-rich conditions. We find that stoichiometric defects V(...
We calculate the tensile and shear moduli of a series of boron nitride nanotubes and their piezoelectric response to applied loads. We compare in detail results from a simple molecular mechanics (MM) potential, the universal force field, with those from the atomistic finite element method (AFEM) using both Euler-Bernoulli and Timoshenko beam formulations. The MM energy minimisations are much mo...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید