氢原子在Ru(0001)表面的化学吸附

用密度泛函理论研究了氢原子的污染对于Ru(0001)表面结构的影响. 通过PAW(projector-augmented wave)总能计算研究了p(1×1)、p(1×2)、(3^(1/2)×3^(1/2))R30°和p(2×2)等几种氢原子覆盖度下的吸附结构, 以及在上述结构下Ru(0001)面fcc(面心立方)格点和hcp(六方密堆)格点的氢原子吸附. 所得结果表明, 在p(1×1)-H、p(1×2)-H、(3^(1/2)×3^(1/2))R30°-H和p(2×2)-H几种H原子覆盖度下, 以p(1×1)-H结构单个氢原子吸附能为最大. 在p(1×1)-H吸附结构下,由于氢原子吸附导致的Ru(0001) 表面第一层Ru 原子收缩的理论计算数值分别为-1.11%(hcp 吸附)和-1.55%(fcc 吸附), 因此实际上最有可能的情况是两种吸附方式都有一定的几率. 而实验中观察到的“清洁”Ru(0001)表面实际上是有少量氢原子污染的表面. 不同覆盖度和氢分压下氢原子吸附的污染对Ru(0001)表面结构有极大的影响,其表面的各种特性都会随覆盖度的不同而产生相应的变化.     

Thermochemistry on the Complex of Erbium Perchlorate with L-α-Glutamic Acid [Er2（L-Glu）2（H2O）6]（ClO4）4·6H2O（s）

A coordination compound of erbium perchlorate with L-α-glutamic acid, [Er2（Glu）2（H2O）6]（ClO4）4·6H2O（s）, was synthesized. By chemical analysis, elemental analysis, FTIR, TG/DTG, and comparison with relevant literatures, its chemical composition and structure were established. The mechanism of thermal decomposition of the complex was deduced on the basis of the TG/DTG analysis. Low-temperature heat capacities were measured by a precision automated adiabatic calorimeter from 78 to 318 K. An endothermic peak in the heat capacity curve was observed over the temperature region of 290-318 K, which was ascribed to a solid-to-solid phase transition. The temperature Ttrans, the enthalpy △transHm and the entropy △transSm of the phase transition for the compound were determined to be： （308.73±0.45） K, （10.49±0.05） kJ·mol^-1 and （33.9±0.2） J·K^-1·mol^-1. Polynomial equation of heat capacities as a function of the temperature in the region of 78-290 K was fitted by the least square method. Standard molar enthalpies of dissolution of the mixture [2ErCl3·6H2O（s）＋2L-Glu（s）＋6NaClO4·H2O（s）] and the mixture {[Er2（Glu）2（H2O）6]（ClO4）4·6H2O（s）＋6NaCl（s）} in 100 mL of 2 mol·dm^-3 HClO4 as calorimetric solvent, and {2HClO4（1）} in the solution A＇ at T=298.15 K were measured to be, △dHm,1=（31.552±0.026） kJ·mol^-1, △dHm,2 = （41.302±0.034） kJ·mol^-1, and △dHm,3 = （ 14.986 ± 0.064） kJ·mol^-1, respectively. In accordance with Hess law, the standard molar enthalpy of formation of the complex was determined as △fHm-=-（7551.0±2.4） kJ·mol^-1 by using an isoperibol solution-reaction calorimeter and designing a thermochemical cycle.     

阵列式共焦显微系统超分辨特性的研究

针对光学阵列共焦显微系统中存在分辨力的下降，提出引入一种新型三区振幅型光瞳滤波器以提高其三维探测能力。首先根据基尔霍夫衍射理论推导出光学阵列共焦显微系统三维相干成像公式，与现有理论相比，能更准确地定量描述共焦阵列成像过程，进而将共焦阵列显微技术和光学超分辨技术有机结合，利用三维超分辨评价函数对光瞳滤波器的参数进行优化设计，通过压缩各探测光路的横向和轴向半极值宽（HWHM），以提高其三维扫描探测能力，从而为实现快速、超精密三维测量提供了一种有效的技术途径。     

准连续17 kW 808 nm GaAs/AlGaAs叠层激光二极管列阵

高功率激光二极管列阵广泛应用于抽运固体激光器.报道了17 kW GaAs/AlGaAs叠层激光二极管列阵的设计、制作过程和测试结果.为了提高器件的输出功率,一方面采用宽波导量子阱外延结构,降低腔面光功率密度,提高单个激光条的输出功率,通过金属有机物化学气相沉积(MOCVD)方法进行材料生长,经过光刻、金属化、镀膜等工艺制备1 cm激光条,填充密度为80%,单个激光条输出功率达100 W以上;另一方面器件采用高密度叠层封装结构,提高器件的总输出功率,实现了160个激光条叠层封装,条间距0.5 mm.经测试,器件输出功率达17kW,峰值波长为807.6 nm,谱线宽度为4.9 nm.     

片状LiV3O8软模板辅助溶胶-凝胶法制备及其在水系锂离子电池中的性能研究

负极材料是目前制约水溶液锂离子电池的关键.采用十二烷基苯磺酸钠软模板辅助的溶胶凝胶法制备了片状LiV3O8材料.XRD和SEM测试表明,目标材料为纯相的片状结构LiV3O8,属单斜晶系,P21/m点群.组装LiMn2O4//Li2SO4//LiV3O8水溶液锂离子电池,测试发现片状LiV3O8具有较高的倍率性能和较好的循环寿命.在0.1C下,LiV3O8的放电比容量为154 mAh·g-1.在1C、5C和10C时,放电容量分别为134 mAh·g-1、78 mAh·g-1和54 mAh·g-1.1C前170周循环的容量保持率约60%.     

Microwave Assistant Synthesis and Dimeric Crystal Structure of 2-(((6-Chloropyridin-3-yl)-methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole

The title compound 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole 5(C26H18Cl2N8S4) was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 9.452(4), b = 12.335(4), c = 13.017(5) A, α = 90.624(5), β = 110.541(5), γ =104.879(4)°, Dc = 1.561 g/cm3, Z = 2, V = 1364.9(9) A3, F(000) = 656, the final R = 0.0300 and w R = 0.0635 for 4206 observed reflections with I 2σ(I). The preliminary biological test showed that the title compound has activities against Stemphylium lycopersici(Enjoji) Yamamoto, Fusarium oxysporum. sp. cucumebrium, and Botrytis cinerea with inhibitory activities to be 9.82%, 44.44% and 20.00%, respectively.     

6×n阶矩形网络等效电阻猜想的证明

任意k×n阶电阻网络等效电阻的公式研究属于科学难题,到目前为止已经获得了当k=1,2,…,5时的5种情形下的等效电阻公式,但对k≥6时的等效电阻的普适公式仅仅作为猜想给出.本文根据建立的任意k×n阶电阻网络等效电阻研究的方法,证明了k=6时的等效电阻公式的正确性,并且给出了其无穷网络的等效电阻公式,在对比验证时得到了一些新的三角恒等式.     

新型N-(取代芳氧乙酰胺基)-N'-(1-甲基环己基酰基)硫脲及其环合产物的合成及其杀虫活性

采用亚结构拼接法,将苯氧乙酸类结构引入酰基硫脲中,设计并合成了8个新型的硫脲类化合物——N-(取代苯氧乙酰胺基)-N'-(1-甲基环己基酰基)硫脲(5a~5h);5a~5h在酸性条件下关环形成8个新型的含1,3,4-噻二唑的酰胺类化合物——1-甲基-N-(5-取代基-1,3,4-噻二唑-2-基)环氧甲酰胺(6a~6h),其结构经1H NMR和ESI-MS表征。初步的生物活性测试结果表明,在用药量为500mg·L-1时,N-(2,4-二氯苯氧乙酰胺基)-N'-(1-甲基环己基酰基)硫脲对粘虫的抑制率为80%。     

采用信道估计法的基站VSWR实时检测

为解决无线基站宽带工作频带内电压驻波比(Voltage Standing Wave Ratio,VSWR)的实时测量，提出了一种采用信道估计法的测量方案。该方案实现简单，在基带处理单元高速率位置发送数据，依次抓取射频通道反馈和反射数据，分别求取信道响应序列，结合工厂装备测试数据，计算驻波反射系数和反射点位置。发送信号采用宽带正交频分复用信号，能检测到工作频段内任何频点处的驻波异常。有用信号前加循环前缀，并引入峰值抵消核，能正确检测到多个反射点驻波。仿真结果表明，该方案驻波测量精度和单回波点位置精度达到预期，多回波点测量能抓准外部主要故障点，在基站VSWR实时测量中具有良好的应用前景。     

A nonlinear optical loop mirror-based linear cavity swit- chable multi-wavelength erbium-doped fiber laser

A nonlinear optical loop mirror (NOLM)-based linear cavity switchable multi-wavelength erbium-doped fiber (EDF) laser is proposed and experimentally demonstrated. Due to the characteristics of the intensity-dependent transmissivity, the NOLM can effectively mitigate the mode competition of the homogenous broadening gain medium, so that the multi-wavelength lasing can be achieved at room temperature. By adjusting the states of the polarization controllers (PCs), the number of the lasing wavelengths in the proposed laser can be adjusted flexibly from 11 to 13 with a wavelength spacing of 0.4 nm around the wavelength of 1 530 nm.