应用于碱卤化物固体的通用状态方程

提出一种能精确考虑固体结合能的通用状态方程,并且在高压和膨胀区域都具有正确的行为,不会出现物理上不正确的振荡现象.将新方程与文献中的典型方程应用于15种碱金属卤化物和一种碱土金属氧化物,结果表明新方程在给出正确结合能数据的同时,能够很好地拟合实验压缩数据.由Vinet方程和Morse方程定出的参数随数据范围变化很明显,新方程定出的参数随数据范围变化不明显.新方程的通用性优于Vinet方程和Morse方程. 关键词： 固体 通用状态方程 结合能 碱金属卤化物     

电场调谐InAs单量子点的发光光谱

采用稳态和时间分辨发光光谱,研究了生长在p-i-n二极管结构内的InAs单量子点发光光谱的电场调谐特性.随着电场强度的增加,观察到量子点中激子发光的Stark 效应.通过选择不同波长的激光线激发量子点样品,发现随着电场强度的增加导致量子点发光强度的减弱,这是由于量子点俘获载流子概率的减小所致,而激子寿命的增加源于电场导致激子的Stark效应. 关键词： InAs单量子点 Stark效应 电子-空穴分离     

Direct transition of potential of water droplets to electric energy using aligned single-walled carbon nanotubes

In this paper, we report that an electromotive force (EMF) can be induced in a rope of aligned single-walled carbon nanotubes (SWNTs) when water droplets fall on this rope. The magnitude of this EMF depends sensitively on the slant angle of the SWNTs. Most interestingly, both the magnitude and the direction of the induced EFM can be modulated by applying a current to the SWNTs. The concepts of electrical slip and no-slip are proposed and can be quantitatively described by ``electrical slip resistance'. This kind of generator does not need any magnet, rotor, {etc} and shows quite a different operating mechanism and design compared with a conventional large scale hydroelectric power generator.     

基于DeltaE的驻波型热声发动机设计方法

在消化和吸收目前普遍接受的热声系统计算软件DeltaE(Design Environment for Low Amplitude Thermoacoustic Engines)的基础上,发展了驻波型热声发动机的结构设计方法;提出引入双参数评估法对发动机性能进行评估,以获取较高的热声转化效率。     

ICP-AES测定土壤中钡、铬和锰含量的不确定度评定

电感耦合等离子体-原子发射光谱法(ICP-AES)测定土壤中钡、铬和锰含量的不确定度主要来源于样品称量、样品消解液定容体积和测定样品消解液中各元素的浓度,对这些分量进行了量化计算。土壤中钡、铬和锰的质量分数可分别表示为218.5±17.1,342.5±40.4,1468.9±47.1mg/kg。影响各元素含量测量不确定度的主要因素是测量样品消解液中各元素的浓度引起的不确定度。     

关联染料敏化太阳能电池薄膜厚度与光伏性能的漂移-扩散数值模拟

建立漂移-扩散模型来模拟敏化电池的电荷分离过程.该模型能够计算在稳态和非稳态条件下光生电子的多步受限扩散及其与电子受体的复合反应.通过对电池的电流-电压曲线的数值模拟,优化了电池的薄膜厚度并获得了最大的光电转换效率.发现膜厚的增加降低了电荷收集效率,但有利于提高电子注入流率,光电流的输出正是受控于这两个因素.复合速率常数严重影响了膜厚优化的结果.较厚的薄膜适合于电子复合被充分抑制的电池,而较薄的薄膜有利于降低快复合电池的电子复合损失.在开路条件下,膜厚的提高会减小电子浓度,在造成光电压的降低的同时会提高电子寿命.     

用从头算方法研究GeCl2分子的非谐振力场和光谱常数

用从头算方法的MP2和CCSD（T）方法结合cc-pVTZ基组计算了二氯化锗同位素（⁷⁰GeCl₂、⁷²GeCl₂和⁷⁶GeCl₂）分子的平衡结构、光谱常数和非谐振力场.二氯化锗的几何结构、转动常数、振转相互作用常数、谐频、非谐振常数、四次和六次离心畸变常数、三次和四次力常数的计算结果与实验结果符合较好,二氯化锗分子的同位素效应较小,可能的原因是Ge同位素的质量变化相对较小.两种方法计算的结果均与实验结果符合,但CCSD（T）方法比MP2计算结果的偏差稍大一些,可能的原因是CCSD（T）方法在描述过共价Cl原子的电子相关时不够充分.     

Mn助剂对K-Co-Mo催化剂结构及CO加氢合成低碳醇性能的影响

通过溶胶-凝胶法合成了一系列Mn掺杂K-Co-Mo催化剂,并利用X射线衍射、N₂吸脱附、NH₃程序升温脱附、原位漫反射红外光谱以及X射线吸收谱等技术对催化剂的结构进行了表征.活性测试结果显示Mn掺杂催化剂比未掺杂催化剂表现更高的合成低碳醇的催化活性,尤其是C₂₊醇的选择性得到了明显的提高.醇产物分布偏离了ASF分布规律,甲醇的含量显著减少,乙醇成为主要醇产物.表征结果表明Mn助剂的加入增强了Co和Mo之间的相互作用,促进了醇生成活性中心Co-Mo-O物种的生成.显著减少了催化剂强酸性位的数量,促进了弱酸性位的产生,有利于醇产物的生成.助剂的加入有利于催化剂对CO的线性和桥式吸附,促进了醇产物的生成和碳链的增长,提高了催化剂对C₂₊醇的选择性.     

Modification of three dimensional topography of the machined KDP crystal surface using wavelet analysis method

The wavelet analysis method has been extensively employed to analyze the surface structures and evaluate the surface roughness. In this work, however, the wavelet analysis method was introduced to decompose and reconstruct the sampled surface profile signals in the cutting direction that achieved by SPDT (single point diamond turning) operation, and the surface profile signals in tool feeding direction were reconstructed with the approximate harmonic functions directly. And moreover, the orthogonal design method, i.e. the combination design of general rotary method, was resorted to model the variations of the independent frequency and amplitude of different simulated harmonic signals in the cutting and tool feeding directions. As expected resultantly, a novel 3D surface topography modeling solution was established, which aims to predict and modify the finished KDP (potassium dihydrogen phosphate or KH₂PO₄) crystal surfaces. The validation tests were carried out finally under different cutting conditions, and the collected average surface roughness in any case was compared with the corresponding value as predicted. The results indicated the experimental data were well consistent with the predictions, and only an average relative error of 11.4% occurred in predicting the average surface roughness.     

ZnS thin film deposited with chemical bath deposition process directed by different stirring speeds

In this combined film thickness, scanning electron microscopy (SEM), X-ray diffraction and optical properties study, we explore the effects of different stirring speeds on the growth and optical properties of ZnS film deposited by CBD method. From the disclosed changes of thickness of ZnS film, we conclude that film thickness is independent of the stirring speeds in the heterogeneous process (deposition time less than 40 min), but increases with the stirring speeds and/or deposition time increasing in the homogeneous process. Grazing incident X-ray diffraction (GIXRD) and the study of optical properties disclosed that the ZnS films grown with different stirring speeds show partially crystallized film and exhibit good transmittance (70-88% in the visible region), but the stirring speeds cannot give much effects on the structure and optical properties in the homogeneous process.