Structure, Stability and Vibrational Spectra of LaC_5~n(n=-1,0,+1) Clusters

用密度泛含方法研究了ＬａＣ５ｎ（ｎ＝－１，０，＋１）分子簇的结构和稳定性及振动光谱，对这个六原子体系提出了三种可能构型，点群结构为Ｃ２ｖ对称性．第一个构型为Ｌａ接在弯曲的Ｃ５链上，第二个是Ｌａ通过二个键与Ｃ５环相连第三个是Ｌａ通过一个键与Ｃ５环相连；结果表明，第一个构型即当Ｌａ接在弯曲的Ｃ５链上时能量最低．振动光谱分析指出，当ｎ＝－１时，第二个构型为局域极小值；当ｎ＝＋１时，第一个和第二个构型为局域极小值；对ｎ＝０，局域极小值没有找到．     

甘油快原子轰击质谱的量子化学研究

用标准MNDO方法优化了甘油快原子轰击正离子谱中的主要离子构型,计算了生成热、质子化能以及亚稳断裂的活化势垒,研究了质子化甘油二步脱水反应的机理,并指出脱水产物C_3H_5O~+离子存在2种不同的构型。     

LaC_3~n(n=-1,0,+1)分子簇的理论研究(英文)

用密度泛函方法研究了ＬａＣ３ｎ（ｎ＝－１，０，＋１）分子簇的结构和稳定性，对这个四原子体系，提出了５种可能构型，其中３种具有Ｃ２ｖ对称性，２种为Ｃ∞ｖ对称性．在Ｃ２ｖ对称性结构中，其中１个为Ｌａ接在弯曲的Ｃ３链上，第２个是Ｌａ通过２个键与Ｃ３环相链，第３个是Ｌａ通过１个键与Ｃ３环相连；在Ｃ∞ｖ对称性中，第１个Ｌａ接在Ｃ３链的一端，而在第２个构型中，Ｌａ被插入在Ｃ３链中．结果表明，环状结构当Ｌａ接在弯曲的Ｃ３链上的是局域极小值并且最稳定     

尼龙-1010结晶结构

用WAXD方法测定了Nylon-1010为三斜晶系结晶结构;α=4.9(?),b=5.4(?),c=27.8(?),α=49°,β=77°,γ=63.5°,每个聚合物单胞含有一个重复单元,空间群为P(?)。模压试样用Ruland方法分析结晶度为60％。以上。电子密度相关函数法分析了SAXS现象,求得了Nylon-1010结晶片层厚度、过渡层厚度、长周期、比内表面及电子密度差。     

浅谈济南奥体中心火灾及钢结构的利弊

随着济南城市的发展,越来越多的现代建筑拔地而起。而现代建筑多采用钢结构,钢结构是需要防火的。而济南的冬天又是干冷的,防火势在必行。在建中的第十一届全国运动会主会场发生的两次火灾是由屋面防水复合材料被电焊火星引燃所致,本文将对火灾原因、材料的性能以及防火要求、钢结构的利与弊进行简要分析,目的是引起工程人员对此类事故的重视。     

Efficiency Enhancement of Dye-Sensitized Solar Cells： Using Salt CuI as an Additive in an Ionic Liquid

Energy conversion efficiency of the dye-sensitized solar cell is improved from 3.5% to 4.5% by adding a small amount of CuI into an ionic liquid electrolyte. It is found that other copper-I salts, for example, CuBr, have the same effect for the dye-sensitized solar cell. Experimental results show that no Cu^2＋ ions exist in this electrolyte. It is suggested that this improvement is caused by the adsorption of Cu^＋ onto the TiO2 porous film.     

基于深度约束的声速估算方法*

高精度的声速剖面数据是提高水下定位精度的关键。在无法精确获得声速剖面数据的情况下,该文提出了一种基于深度约束,同时根据浮标与水下目标的空间几何距离进行有效声速估算的方法。通过仿真模拟,将该文提出的方法与加权平均声速法、泰勒级数展开法和等效声速剖面法的定位结果进行对比分析。结果表明,新方法不需要依靠声速剖面数据,通过深度约束可有效地估算出声速值,其定位精度与等效声速结果相当,极大地提高了无声速剖面数据下的水下定位精度。     

Regulation of Zn/Sn ratio in kesterite absorbers to boost 10% efficiency of Cu_2ZnSn(S,Se)_4 solar cells

The Zn/Sn ratio in Cu_2ZnSn(S,Se)_4(CZTSSe)films has been regulated to control the composition-related phase,defect,and photoelectric properties for high performance kesterite solar cells.It is found that the increase in the Zn/Sn ratio can slightly narrow the energy band gap to extend the light absorption range and improve the photocurrent.Optimal Zn/Sn ratio of 1.39 in CZTSSe film is obtained with the least secondary phase,the lowest defect density,and the longest charge recombination lifetime.Up to 10.1%photoelectric conversion efficiency has been achieved by this composition regulation.     

Simple and universal method in designs of high-efficiency diffractive optical elements for spectrum separation and beam concentration

Diffractive optical elements(DOEs) with spectrum separation and beam concentration(SSBC) functions have important applications in solar cell systems. With the SSBC DOEs, the sunlight radiation is divided into several wave bands so as to be effectively absorbed by photovoltaic materials with different band gaps. A new method is proposed for designing high-efficiency SSBC DOEs, which is physically simple, numerically fast, and universally applicable. The SSBC DOEs are designed by the new design method, and their performances are analyzed by the Fresnel diffraction integral method.The new design method takes two advantages over the previous design method. Firstly, the optical focusing efficiency is heightened by up to 10%. Secondly, focal positions of all the designed wavelengths can be designated arbitrarily and independently. It is believed that the designed SSBC DOEs should have practical applications to solar cell systems.