First-principles study of the electronic and optical properties of ZnO nanowires

The geometric, energetic, electronic structures and optical properties of ZnO nanowires (NWs) with hexagonal cross sections are investigated by using the first-principles calculation of plane wave ultra-soft pseudo-potential technology based on the density functional theory (DFT). The calculated results reveal that the initial Zn-O double layers merge into single layers after structural relaxations, the band gap and binding energies decrease with the increase of the ZnO nanowire size. Those properties show great dimension and size dependence. It is also found that the dielectric functions of ZnO NWs have different peaks with respect to light polarization, and the peaks of ZnO NWs exhibit a significant blueshift in comparison with those of bulk ZnO. Our results gives some reference to the thorough understanding of optical properties of ZnO, and also enables more precise monitoring and controlling during the growth of ZnO materials to be possible.     

含有28个氨基酸的复杂多肽的串级质谱全序列分析研究

利用MALDI-TOF/TOF MS和ESI-MS/MS对一种含有多达28个氨基酸的复杂合成多肽成功进行了全序列测定. 通过调节激光强度、碰撞诱导解离(CID)能量等质谱参数以及依据不同序列分析软件, 获得了涵盖所有b型和y型碎片离子的串级质谱图. 结果显示这种方法可以有效地解决de novo测序方法遇到的谱峰过于复杂导致运算死机等问题. 通过讨论如何对含有超过20个氨基酸片断的多肽进行合格串级质谱实验, 为蛋白质组学肽段序列测定提供了新的方法和思路.     

Effect of Sb-doping on the morphology and the dielectric properties of chrysanthemum-like ZnO nanowire clusters

Chrysanthemum-like ZnO nanowire clusters with different Sb-doping concentrations were prepared by using the hydrothermal process. The microstructures, morphologies, and dielectric properties of the as-prepared products were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), field emission environment scanning electron microscope (FEESEM), and microwave vector network analyzer respectively. The results indicate that the as-prepared products are Sb-doped ZnO single crystallines with hexagonal wurtzite structure, the flower bud saturation degree F_d is obviously different from that of the pure ZnO nanowire clusters, the good dielectric loss property is found in Sb-doped ZnO products with low density, and the dielectric loss tangent tanδ _e increases with the increase of the Sb-doping concentration in a certain concentration range.     

一种高岭土基多孔硅材料的制备及其对Ca2+和Mg2+的吸附

成功合成了一种高岭土基新型多孔硅材料（ASM）并以FTIR,XRD,FE-SEM和N₂吸附-脱附进行了系统的表征。ASM的制备过程涉及两步：SiO₃^2-提取和ASM的制备。SiO₃^2-提取的最优条件为煅烧温度为960℃,NaOH浓度为20%,反应温度为90℃,反应时间为90 min,在此条件下SiO₃^2-提取率为60.45%（w/w）。以此提取液为原材料,调整提取液中SiO₃^2-的浓度为12 g·L^-1,反应温度为90℃,反应时间为60 min,然后再搅拌2 h可制得ASM。以此ASM对Ca²⁺和Mg²⁺进行吸附研究,脱除率分别可达94.99%和62.32%。     

云南阳宗海砷污染水平、变化趋势及风险评估

云南阳宗海砷污染事件引起社会广泛关注.为了解事件发生后阳宗海砷污染水平及变化趋势,分别于2008年12月、2009年2月、5月及9月四次采样,研究了阳宗海湖水、底泥、周边井水、土壤、农作物及水生生物中的砷含量及其变化趋势.研究结果显示:湖水平均砷浓度分别为176.9、147.3、159.3和161.1μg/L(算术平均),底泥平均浓度分别为32.87、62.41、62.99和46.96μg/g(算术平均).阳宗海湖水砷浓度经历了先升后降再到平稳的变化过程,底泥砷含量迅速升高后缓慢下降,湖水和底泥间砷交换还在进行.阳宗海附近土壤中砷最高浓度为23.33μg/g,未超过国家土壤环境质量三级标准.大米、玉米、花椰菜、小油菜等农作物可食用部分中砷的最高值为0.35μg/g,均未超过国家无公害食品标准.水生植物中砷水平大多在100～200μg/g之间,最高为苦草,砷含量超过300μg/g,说明该植物对砷有一定的富集能力.虾、鱼类等可食用水生动物砷浓度范围为1.52～11.4μg/g.     

Evolution of Ge and SiGe Quantum Dots under Excimer Laser Annealing

We present different relaxation mechanisms of Ge and SiGe quantum dots under excimer laser annealing. Investigation of the coarsening and relaxation of the dots shows that the strain in Ge dots on Ge films is relaxed by dislocation since there is no interface between the Ge dots and the Ge layer, while the SiGe dots on Si0.77Ge0.23 film relax by lattice distortion to coherent dots, which results from the obvious interface between the SiGe dots and the Si0.77Ge0.23 film. The results are suggested and sustained by Vanderbilt and Wickham＇s theory, and also demonstrate that no bulk diffusion occurs during the excimer laser annealing.     

ANALYSIS ON IMPACT RESPONSES OF UNRESTRAINED PLANAR FRAME STRUCTURE(Ⅰ)—FORMULA DERIVATION

Introduction Recently,therehavebeenconsiderablestudiesontransientresponsesandwave propagationofrestrainedstructureswhicharebeingimpacted[1,2].But,fortheunrestrained structures,therearefewrelativeliteratureshavingbeenpublished.Unrestrainedstructures aremai…     

风沙粒子冲击钢结构涂层力学行为的理论与有限元分析

利用接触力学理论和三维有限元分析了钢结构受到风沙粒子冲击后其涂层表面接触区应力、涂层内部应力、涂层与基体界面上应力的分布规律。分析结果表明:涂层表面径向应力在接触中心出现最大压应力,在接触区边缘出现最大拉应力,且在接触区边缘易发生环状撕裂破坏;在涂层内部,涂层对Z向应力的承受力较好;涂层内部剪应力的最大值出现在碰撞接触点的左下方和右下方,这两个位置易受到剪切破坏,在接触点和剪应力最大值之间的剪应力变化速度较大;涂层与基体界面上r/h为0~0.4时,Z向应力变化较小;在r/h为0.4~1时,Z向应力剧烈减小;r/h1时,Z向应力基本保持不变;涂层与基体界面上剪应力最大值出现在冲击点附近,且冲击点附近剪应力变化较大,易引起剪切撕裂破坏。     

一种双惯导组合导航方法

一些舰艇装备两套或多套惯性导航系统。为提高这些舰艇导航信息输出的精度和稳定性,提出一种双惯导组合导航方法。从惯性导航系统的误差特性出发,分析了固定指北惯性导航系统和台体方位旋转惯导系统的误差特性,并根据两种惯导系统的不同误差特性,设计了Kalman滤波组合导航控制方案,通过仿真验证了组合导航控制方案的效果。仿真结果表明,采用该方法后,在不增加任何硬件成本的基础上,能够提高导航信息输出精度和稳定性。例如,当陀螺漂移为0.002(°)/h,加速度计零偏5×10-5 g时,固定指北惯导24 h定位误差约为2.8 n mile,速度误差波动约0.2 kn,台体方位旋转惯导系统24 h定位精度约为1.7 n mile,速度误差波动约0.5 kn;当采用组合导航控制时,组合输出24 h定位精度约1.5 n mile,速度误差波动约0.15 kn。