Theoretical study of stereodynamics for the N+H2/D2/T2 reactions

The effects of isotopic variants on stereodynamic properties for the title reactions have been investigated using a quasi-classical trajectory method based on the first excited state NH2（I^2A＇） potential energy surface [Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644]. The forward–backward symmetry scattering of the differential cross section can be observed, which demonstrates that all these reactions follow the insertion mechanism. Three angle distribution functions P（θr）, P（φr）, and P（θr, φr） with different collision energies and target molecules H2/D2/T2 are calculated. It is shown that the product rotational angular momentum is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The title reaction is mainly governed by the ＂in-plane＂ mechanism through the calculated distribution function P（θr, φr）. The observable influences on the rotational polarization of the product by the isotopic substitution of H/D/T can be demonstrated.     

A particular solution of Heun equation for Hulthen and Woods‐Saxon potentials

In this article a particular solution of Heun equation is derived by making use of the Nikiforov‐Uvarov (NU) method which provides exact solutions for general hypergeometric equation and eigenvalues together with eigenfunctions of the Heun equation for this particular solution are obtained. One to one correspondence (isomorphism) of the aforesaid equation with the radial Schrödinger equation is emphasized and also physical counterparts of the parameters in this equation are put forward by introducing solutions for two different potential functions (Hulthen and Woods‐Saxon potentials).

     

High-performance 850 nm vertical-cavity surface-emitting laser in Gigabit Ethernet network

High-performance oxide vertical-cavity surface-emitting (VCSEL) laser is fabricated, and its usefulness is demonstrated as a suitable transmitting light source at 850 nm operating wavelength for Gigabit Ethernet application. Utilization of barrier reduction layers reveals low-threshold current requirement for operation at high modulation bandwidth. The electrical and optical characteristics, measured from the fabricated VCSEL, are simulated for Gigabit Ethernet transmission. Data rates of 1.25 Gbps with a bit error rate of 10⁻¹¹ are achieved by the use of a specific multimode network simulator.     

Effect of magnetic fields on the linear and nonlinear intersubband optical absorption coefficients and refractive index changes in square and graded quantum wells

In this study, both the intersubband optical absorption coefficients and the refractive index changes as dependent on the magnetic field are calculated in square and graded quantum wells. Our results show that the position and the magnitude of the linear and total absorption coefficients and refractive index changes depend on the magnetic field strength and the shape of potential. The incident optical intensity has a great effect on the total absorption and refractive index changes.     

应变对层状锰系锂离子电池正极材料输出电压的影响

利用第一性原理方法系统研究了不同应 变模式对LiMnO₂和Li₂MnO₃输出电压的影响, 建立了输出电压与弹性常数及应变之间的关系. 发现所有应变对输出电压都是降低的, 且应变效应是各向异性的. 大部分的单轴应变5%时对输出电压的降低都小于0.1 V. 由于层状的电极材料层间的键合作用较弱, 且受脱锂后形成的锂空位影响较大, 当从锂层脱出锂时, 垂直于层方向的应变对输出电压影响较大; 而对Li₂MnO₃系统从过渡金属层中脱锂时, 平行于层的应变对输出电压影响更大. Li₂MnO₃骨架支撑的层状固溶体系中, 应变使高电压充电阶段的电压维持在截断电压之下, 并打开过渡金属层中锂的迁移通道, 产生较为持久的充电而可能获得较大的充电容量.     

Electronic transmission and dwell time on a double barrier system with an accelerating quantum well

Resonant tunneling quantum structures consist of asymmetric wells and barriers have been investigated to find their optimized geometrical parameters and potential profile by the numerical calculations. The results show that the widths and the depths of the asymmetric wells have a significant effect on the transmission coefficient and the dwell time. The properties exhibited in this work may establish guidance to the device applications.     

Controllable growth and characterizations of hybrid spiral-like atomically thin molybdenum disulfide

Monolayer MoS₂ is an emerging two-dimensional semiconductor with wide-ranging potential applications in novel electronic and optoelectronic devices. Here, we reported controlled vapor phase growth of hybrid spiral-like MoS₂ crystals investigated by multiple means of X-Ray photoemission spectroscopy, scanning electron microscopy, atomic force microscopy, kelvin probe force microscopy, Raman and Photoluminescence techniques. Morphological characterizations reveal an intriguing hybrid spiral-like MoS₂ feature whose lower planes are AB Bernal stacking and upper structure is spiral. We ascribe the hybrid spiral-like structure to a screw dislocation drive growth mechanism owing to lower supersaturation and layer-by-layer growth mode. In addition, the electrostatic properties of MoS₂ microflakes with hybrid spiral structures are obvious inhomogeneous and dependent on morphology manifested by kelvin probe force microscopy. Our work deepens the understanding of growth mechanisms of CVD-grown MoS₂, which is also adoptable to other TMDC materials.     

Post collision interactions and polarization effect in (e, 2e) collisions of helium

A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (1s²) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.     

Intrinsic anisotropy of the effective acoustic properties in metafluids made of two-dimensional cylinder arrays

Within a unified theoretical framework, we extract the omnidirectional effective acoustic parameters for the metafluid consisting of isotropic fluid cylinders embedded in an isotropic fluid background. Besides the analytical formulas for the effective parameters reported previously, i.e., the bulk modulus and the mass density perpendicular to the cylinders, we also derive a simple expression for the effective mass density parallel to the cylinders. As expected, these two effective mass densities are not identical and constitute an anisotropic density tensor. Such intrinsic anisotropy can be engineered much stronger than the pure in-plane anisotropy induced by either anisotropic lattices or anisotropic scatterers.