CdS,ZnO1-xSx电子结构和光学特性的第一性原理研究

 采用基于密度泛函理论(DFT)框架下广义梯度近似(GGA)的PBE平面波超软赝势方法,研究了闪锌矿型CdS和ZnO_1-xS_x(x=0,0.25,0.5,0.75,1)的电子结构和光学特性.计算并分析了闪锌矿型CdS和ZnO_1-xS_x的复介电函数、光电导率、吸收系数和损失函数.研究结果表明,闪锌矿型CdS和ZnO_1-xS_x(x=0,0.25,0.5,0.75,1)均为直接带隙半导体材料.ZnO中一定浓度的硫掺杂,导致带隙宽度变窄,而晶格常数随掺杂基本呈线性变化.就目前制备铜铟镓硒(CIGS)薄膜太阳能电池普遍使用CdS缓冲层而言,ZnO_1-xS_x具有与CdS类似的电子结构,但光学特性上高频特性有明显改善.这些特性对于改善电池吸收层表面性能和光吸收特性、制备高效CIGS薄膜太阳能电池非常有利.     

航空成像光谱的蚀变信息提取技术

 根据成像光谱仪CASI/SASI的影像特点,制定了高光谱影像的处理方法流程,介绍了各步骤的内容和需要注意的事项.阐述了噪声和坏波段去除、大气校正的过程,并提出了一些经验性的处理方法.在成像光谱岩石蚀变提取算法中,根据经验对已有方法进行了改进;在基于特定算法的矿物填图方法中,依据柯坪地区CASI影像中富含二价铁的辉绿岩脉的光谱特征,提出了富二价铁岩石提取算法.经过实地验证,富二价铁岩石的提取对铀矿勘探具有较好的指导作用.通过提取的信息结果与已经矿区或矿点的空间叠加分析发现,富二价铁岩石空间分布与铀异常点分布有很强的相关性.根据富二价铁与铀矿的空间分布规律,提出了断裂+富二价铁岩石的成矿模式.红色砂岩提供铀源,岩脉提取铀成为存储容器.富二价铁岩石提供铀沉淀催化剂的作用,且线性的富二价铁岩石分布区域对成矿更有利.通过富二价铁岩石的提取,在柯坪南部地区新发现了3条铀异常带.     

基于R/S分析的城市可持续发展定量评价

根据城市可持续发展理论,利用R/S分析原理和方法,从城市的生产、生活和生态3个方面讨论了山西省太原市在2003～2007年期间的可持续发展的现状和发展潜力对未来一段时间的可持续发展的影响。为决策者提供科学可行的依据和方法。     

三维麦克斯韦方程的对称分裂时域有限差分方法能量守恒性分析

考虑三维电导率为零的麦克斯韦方程的对称分裂时域有限差分(SS-FDTD)方法的能量守恒性.通过新的能量方法与差分算子δx,δy,δz,笔者首次给出了数值逼近格式SS-FDTD在离散的H1模下的能量守恒式,并证明了格式在离散的H1模下的守恒性.数值算例验证了格式解的能量守恒性.     

Banach空间中有限族“三解合一”的混合临近点法

在一致凸一致光滑的Banach空间中引进了一个新的混合迭代序列,利用混合临近点法,找到了均衡问题与变分不等式及有限族半相对非扩张映射不动点问题的公共解(简称"三解合一"),并证明了该迭代序列强收敛到其公共解.所得结果改进和推广了已有的相应结果.     

A gas chromatography/mass spectrometry method for the simultaneous analysis of 50 phenols in wastewater using deconvolution technology

Phenolic compounds exist widely in the influents and effluents of sewage treatment plants (STPs) and most are un-regulated. In this study, a gas chromatography-mass spectrometry (GC-MS) method for the simultaneous analysis of 50 phenolic compounds in wastewater was developed. Deconvolution technology was used to identify contaminants that are covered by co-extracted materials. A mass spectral library containing all 50 silylated phenolic compounds was first established and used for deconvolution. Twelve typical phenolic compounds were selected to optimize the sample preparation procedures. Solid-phase extraction using a C18 cartridge coupled with an HLB cartridge was used for pre-concentration and dichloromethane was used for elution. The solutes were derivatized and analyzed by GC-MS. The blank and matrix spike recoveries ranged from 57.46% to 136.4% and 47.87% to 114.8%, respectively. Method detection limits ranged from 3.64 to 97.64 ng L⁻¹. The relative standard deviations of all the recovery experiments were lower than 13.6%. The instrument limits of quantification ranged from 0.7 to 87.7 pg. The method has been applied to analyze the influents and effluents of 5 Chinese STPs. Except for regulated phenolic compounds (phenol and 2,4,6-trichlorophenol), three un-regulated phenolic compounds, including 2-chlorophenol, 2,5-dichlorophenol and 2,4-dichloro-3-ethyl-6-nitrophenol were identified in the effluent wastewater. The detected concentrations of un-regulated phenolic compounds could possibly cause environmental effects, indicating that immediate attention is required to prevent complications.     

Evaluation of humic acid removal by a flat submerged membrane photoreactor

A flat submerged membrane combined with a TiO 2 /UV photocatalytic reactor (FSMPR) was employed in batch mode to remove humic acid (HA). HA removal efficiency was characterized by UV 254 absorbance, UV-vis spectra, dissolved organic carbon (DOC) concentration, specific UV absorbance (SUVA), and trihalomethane formation potential (THMFP). The FSMPR process was effective in removing more than 86% of DOC and nearly 100% of UV 254 absorbance, while the THMFPs of samples were reduced to < 19 μ g/L after 150 min of treatment. In addition, changes in transmembrane pressure (TMP) with and without UV were evaluated; TiO 2 /UV was effective at controlling membrane fouling by HA. Analysis of the molecular weight (MW) distributions and three-dimensional excitation-emission matrix (EEM) fluorescence spectra of HAs revealed that the effectiveness in membrane fouling control is a result of changes in HA molecular characteristics. The TiO 2 /UV photocatalytic reactor caused the degradation of high MW, hydrophobic humic-like molecules to low MW, hydrophilic protein-like molecules, although this fraction was not completely removed during 150 min of treatment and was less responsible for membrane fouling.     

云南省L波段雷达运行监控平台的设计与实现

基于B/S(Browser/Server结构)模式开发的云南省L波段雷达运行监控平台,有效地实现了云南省5部L波段雷达的探空设备和探空数据的监控.整个平台由FTP计划任务、数据录入系统和L波段雷达运行监控系统3部分组成.运行情况表明,该平台的建立有助于全面掌握我省探测网系统设备的运行状况,保障高空探测网的稳定运行,提高了气象探空数据的数据质量.     

海洋有害赤潮调控功能菌的发现与研究

近年来,赤潮的微生物调控研究受到了科学界的高度重视,"以菌治藻"的赤潮调控理念格外引人注目.先从国内外抑/杀藻菌及其作用方式的研究进展进行论述,再结合本课题组近年来筛选获得的海洋抑/杀藻细菌,探讨该类菌质资源的发掘与利用,最后对该领域研究进行了展望.     

应用Hermit插值方法修正Dome-A自动气象站记录的雪层温度

随着冰盖表面雪的积累或消融,自动气象站(AWS)上所携带的传感器相对于地表的高度/深度不断变化,给观测数据带来误差.本文利用分段三次Hermit插值的方法对Dome A地区的AWS历史雪层温度数据进行修正.结果表明,雪层的修正量随着雪的积累率的增加而增大,在夏半年为正,在冬半年为负.该方法对于浅层雪温的修正有较好的效果.