Growth mechanism of liquid Hg/solid β-HgS metal-semiconductor heterostructures

Density functional theory （DFT） was utilized to simulate the reactions occurred in the mixture solution of cysteine and Hg（II） ions with the ratio 〈 2. Simulation result shows that Hg ions will coordinate to cysteine by the thiol groups with the form of S-Hg2 and S-Hg3; and moreover, the content of free Hg ions can only be reduced by these two forms. OH- plays an important role in the growth of β-HgS, because its nucleophilic substitution reaction supplies plenty of Hg-S-Hg radicals, which will be adsorbed onto the surface of liquid mercury ball and form the precursor of 13-HgS（111） plane. Three valent bonds adsorption of Hg-S-Hg radicals onto the surface of Hg ball has more adsorption energy （-32.768 kcal mol-1） than that of two valent bond adsorption （-20.882 kcal - mol-1）. Hg balls will stop growing after completely covered with Hg-S-Hg radicals and their size will be limited. The growth direction of β-HgS is parallel to the ＂repel- ling＂ force, that is [111] direction in β-HgS lattice. The calculated results are in good agreement with the experimental observations, demonstrating that the DFT method can be taken as a very useful tool to interpret the solution reactions that cannot be solved by conventional methods.     

类锂原子体系基态和激发态的比质量移位

用全实加关联波函数计算了类锂原子体系（核电荷3～10）的基态ls22s和激发态ls2nl（l=s，p，d，f；n≤5）的比质量移位．与实验数据及其它理论结果的比较表明，全实加关联方法适用于计算对电子关联效应特别敏感的物理量．     

自旋—自旋相互作用对红宝石零场分裂的贡献

本文引入自旋－自旋相互作用，计算了红宝石等３种三角晶体中Ｃｒ＾３＋离子的零场分裂，理论计算与实验值一致，研究表明，自旋－自旋相互作用对三角晶场中ｄ＾３离子零场分裂的不应忽略。     

哈尔滨市大气中PM_(10)、PM_(2.5)质量浓度及金属离子分析

对哈尔滨市大气环境中的PM10、PM2.5进行了采集,并对质量浓度及离子成分进行了分析.实验结果表明,两种颗粒物均呈现了先减小后增大的特征,最高值出现在1月,质量浓度分别是178.85、130.10μg/m3,PM10在1、2、3、4、11、12月均超标,而PM2.5质量浓度则高出欧盟标准(15μg/m3)的2~8倍,另外,离子总质量浓度在8月达到了最低值,分别是42.73μg/m3和25.3μg/m3.PM10和PM2.5中离子成分占颗粒物总质量的比例均表现为中间高两边低的特点,最高含量出现在7月份,分别为67.7%和68.4%.根据相关系数的判别原则,PM10中表现为高度负相关的离子是Ca2+和F-、Ca2+和SO42+、Ca2+和NO3-;表现为高度正相关的离子是K+和Mg2+、K+和Cl-、M2+和Cl-、F-和SO42+、F-和NO3-、SO42+和NO3-,说明上述离子间有相似的污染来源.PM2.5中表现为高度正相关的离子是K+和Cl-、K+和SO42+、K+和NO3-、Mg2+和SO42+、F-和NO3-、SO42+和NO3-,与PM10中离子相关性规律不同.     

卟啉修饰电极的制备及金属离子的电位溶出行为

目的 :将修饰电极应用于电位溶出分析 .方法 :采用化学吸附法制备出meso -四 (对 -乙基苯基 )卟啉和meso -四 (对 -甲氧基苯基 )卟啉修饰玻碳电极 .研究Zn(Ⅱ ) ,Cu(Ⅱ ) ,Cd(Ⅱ )和Pb(Ⅱ )金属离子在该电极上的电位溶出行为 ,并与预镀汞膜玻碳电极、玻碳电极的电位溶出行为进行了比较 .结果 :溶出时间 (τ)与金属离子浓度均有良好的线性关系 ,最适宜分析的浓度范围是Zn(Ⅱ ) :1× 10 - 7～ 5× 10 - 5mol/L ;Cd(Ⅱ )和Pb(Ⅱ ) :6× 10 - 7～ 5× 10 - 5mol/L ;Cu(Ⅱ ) :5× 10 - 8～2× 10 - 5mol/L .微分电位溶出分析时灵敏度提高一个数量级 ,相对标准偏差为 0 .90 %～ 2 .3% (n=15) .结论 :使用卟啉修饰电极进行电位溶出分析可获得好的重现性和满意的灵敏度     

分子轨道近似在八面体共价晶体中3d过渡金属离子轨道角动量和旋—轨耦合中的

用分子轨道近似推导了3d过渡金属离子在八面体晶体中轨道角动量和旋－轨耦合矩阵，同时得到了这些矩阵元与3d离子在纯晶体场近似下的矩阵之间的关系。通过以上矩阵元和关系可以很容易地计算3d离子在八面体晶体中的旋－轨、自旋－自旋和塞曼作用矩阵。     

用光化学方法去除废水中的有害有机物和金属

研究了一些有机物，如丙酮，酚，染料和茶皂角甙的光催化降解，结果表明：酚的降解与文献报导的情况基本相同，在催化剂TiO2的作用下，紫外光能有效降解纺织厂的印染废水中的染料；金属化合物对光降解反应具有很大影响；还首次试验了用光催化原理消除茶皂甙中有毒溶血素的方法。     

Cerebral ischemia revisited: New insights as revealed using in vitro brain slice preparations

Summary The elucidation of the pathophysiological mechanisms of cerebral ischemia/hypoxia dictates the use of experimental models which mimic this disabling brain condition. In vivo experimental models have been available for many decades and are responsible for the bulk of, though incomplete, knowledge we have about these mechanisms. Since study in isolation of each postulated mechanism is impossible in vivo, the need for an in vitro experimental model has intensified in recent years. Consequently, rat and guinea pig hippocampal slice preparations have emerged as the models of choice. This review attempts to highlight some of the results obtained using brain slices in the study of cerebral ischemia/hypoxia and compare them to those obtained in vivo. Both the biochemical and the physiological correlates of energy metabolism, ion homeostasis, neurotransmission and neuromodulation of this brain condition are reviewed. The agreements, and especially the disagreements, between the in vivo and in vitro findings are emphasized. Details are given of the possible roles of both lactic acid, Ca²⁺ and excitotoxins in the neuronal damage inflicted by cerebral ischemia/hypoxia. Recent attempts to protect brain slices against experimental cerebral ischemic/hypoxic damage are also reviewed here briefly.     

铈铽离子在La_2SO_6中的发光特性研究 Ⅱ在La_2SO_6中Ce~(3+),Tb~(3+)双掺杂的发光

本文讨论了在La_2SO_6:Tb~(3+)中掺入Ce~(3+)后,可以使Tb~(3+)离子~5D_4→~7F_j跃迁显著增强,~5D_3→~7F_j迅速淬灭,因而改变了发射光谱的能量分布,明显增强了绿光发光强度,大大降低了蓝光发光强度,提高了绿光纯度。实验表明,La_2SO_6:Ce~(3+),Tb~(3+)是一种高效绿光磷光体。通过分析,认为体系中Tb~(3+)离子~5D_4→~7F_j跃迁的增强作用是由于Ce~(3+)→Tb~(3+)离子的能量传递所致,其能量传递机理属于非辐射共振能量转移,并存在着多渠道的能量传递过程。在此基础上,建立了敏化发光的动力学方程,得出了该体系含铽及不含铽时,Ce~(3+)离子处于激发态上的粒子数衰减公式以及铈铽双掺杂的能量传递效率表达式。