Pentapnictogen heterocyclic monoanions: Structure,stability, and aromaticity

Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X _nY_5-n⁻ (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η⁵-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials.     

YBa2Cu3Oz超导体的低温稳定相

基于8点长方集团变分模型,并引入各向同性最近邻相互作用,以及各向异性次近邻相互作用,计算了YBa₂Cu₃O_z两Ba层间铜氧平面上□—O系统的有序—无序相变图,不仅在z=7.0附近得到具有超导电性的正交相,并且在z=6.5附近得到具有两倍晶格长度的另一种正交相(正交相Ⅱ)。 关键词：     

非线性光纤方向耦合器孤子动力特性分析

利用变分方法,导出了双曲正割型光孤子在非线性光纤耦合器中传输时满足的动力学方程组,分析了该方程组的平衡点性态,讨论了光孤子的开关特性.指出参数|β|<2π.是能实现完全的开关操作的必要条件.     

LD泵浦Nd∶LuVO4/Cr4+∶YAG被动调Q激光器

采用大功率半导体激光器端面泵浦Nd∶LuVO4晶体，利用Cr4+∶YAG晶体作为可饱和吸收元件，实现了1.06 μm激光的被动调Q运转.在泵浦功率为19.1 W时，获得最高平均输出功率为4.58 W，脉冲宽度为84 ns，单脉冲能量为36.6 μJ以及峰值功率为436.2 W的激光脉冲.     

On bent functions with some symmetric properties

This paper discusses a kind of bent functions that have some symmetric properties about some variables. Section 2 mainly discusses the bent functions symmetric about some two variables and gives the necessary and sufficient condition for these functions. Section 3 gives algebraic expressions of some bent functions.     

2,7-二氯荧光素与蛋白质相互作用的分光光度法研究

首次采用分光光度法研究了模拟生理条件(pH 7.4 Tris-HCl缓冲溶液,离子强度I=0.1)下2,7-二氯荧光素与牛血清白蛋白(BSA)相互作用的情况.研究结果表明:两者相互作用形成稳定的复合物,最大吸收波长为509nm,与2,7-二氯荧光素的最大吸收波长502nm比较,红移了7nm;两者之间主要通过静电引力结合,但并不排除疏水作用力和氢键;两者之间的结合数为32.     

混沌实验数据处理及仿真

大学物理实验中混沌实验大多采用观察现象的方法进行,本实验采用蔡氏电路(Chua s circuit)产生混沌行为.在观察不同初始值条件下出现的倍周期分岔、阵发混沌、奇异吸引子等相图及现象的基础上,通过对采集数据进行处理,对负电阻伏安特性进行分段线性拟合,用功率频谱法、计算机仿真方法(龙格-库塔数值积分法)对混沌现象进行描绘,将实验数据与非线性方程组的数值解相结合,呈现出混沌现象的本质.     

准晶体中八方晶系点群的对称性与矩阵表示

从理论上对准晶体中八方晶系各点群进行了研究.运用八方晶系各点群的极赤投影图,列出了各点群的所有对称操作;填出了固有点群822的群乘表.运用坐标变换和群论在自定义的八方坐标系中,推导出八方晶系点群所有对称操作的矩阵.这32个3×3矩阵的结构是相当简洁的,它们的矩阵元只有5种可能取值:0,±1,±2.其中2是反映八方晶系准晶体所具有的准周期性的特殊无理数.     

提高微晶硅薄膜太阳电池效率的研究

采用甚高频等离子体增强化学气相沉积技术制备了系列微晶硅薄膜太阳电池，指出了气体总流量和背反射电极的类型对电池性能参数的影响.电池的I-V测试结果表明：随反应气体总流量的增加，对应电池的短路电流密度、开路电压和填充因子都有很大程度的提高，结果使得电池的光电转换效率得以提高.另外，ZnO/Ag/Al背反射电极能明显提高电池的短路电流密度，进而也提高了电池的光电转换效率.对气体总流量和背反射电极类型影响电池效率的原因进行了分析. 关键词： 微晶硅薄膜太阳电池 气体流量 ZnO/Ag/Al背反射电极