富镧和富铈混合稀土贮氢电极的性能

富镧和富铈混合稀土贮氢电极的性能＊赵东江马松艳（黑龙江省绥化师专化学系绥化市１５２０６１）关键词混合稀土贮氢电极性能中图分类号Ｏ６４６．５４混合稀土贮氢合金具有良好的电化学特性和较低的价格，成为贮氢电极研究的主要对象，已经开发出许多实用的电极材料［１...     

On the force field optimisation of $$\beta$$ β -lactam cores using the force field Toolkit

Journal of Computer-Aided Molecular Design - When employing molecular dynamics (MD) simulations for computer-aided drug design, the quality of the used force fields is highly important. Here we...     

GaAs-InP异质材料的结构特性和光学特性研究

我们在低压金属有机汽相沉积(MOCVD)设备上采用两步升温法与金属有机源流量周期调制生长界面过渡层方法制备出GaAs-InP材料,并对此进行了X-射线衍射、低温光致发光谱(PL)和Raman谱分析,结果表明,GaAs外延层的位错密度低于用两步升温法得到的GaAs材料,PL谱峰较强,GaAs的特征激子峰和杂质相关的激子峰同时被测到。Raman谱PL谱的峰移表明GaAs外延层处于(100)双轴伸张应力下,应力大小随温度变化是由于GaAs、InP之间的热膨胀系数不同。     

无界集值上鞅的Riesz逼近

研究了弱紧凸集值上鞅及无界集值上鞅的Ｒｉｅｓｚ逼近，以及鞅型集序列的若干收敛定理．     

THREE-SPHERE INEQUALITIES FOR SECOND ORDER SINGULAR PARTIAL DIFFERENTIAL EQUATIONS

In this article, we give the three-sphere inequalities and three-ball inequalities for the singular elliptic equation div(A▽u)-V u = 0, and the three-ball inequalities on the characteristic plane and the three-cylinder inequalities for the singular parabolic equation ■tu-div(A▽u)+ V u = 0, where the singular potential V belonging to the Kato-Fefferman- Phong’s class. Some applications are also discussed.     

Dynamic simulation and safety evaluation of high-speed trains meeting in open air

Dynamic responses of a carriage under excitation with the German high-speed low-interference track spectrum together with the air pressure pulse generated as high-speed trains passing each other are investigated with a multi-body dynamics method.The variations of degrees of freedom(DOFs:horizontal movement,roll angle,and yaw angle),the lateral wheel-rail force,the derailment coefficient and the rate of wheel load reduction with time when two carriages meet in open air are obtained and compared with the results of a single train travelling at specifie speeds.Results show that the rate of wheel load reduction increases with the increase of train speed and meets some safety standard at a certain speed,but exceeding the value of the rate of wheel load reduction does not necessarily mean derailment.The evaluation standard of the rate of wheel load reduction is somewhat conservative and may be loosened.The pressure pulse has significan effects on the train DOFs,and the evaluations of these safety indexes are strongly suggested in practice.The pressure pulse has a limited effect on the derailment coefficien and the lateral wheel-rail force,and,thus,their further evaluations may be not necessary.     

Theoretical design of azaacene-based non-fullerene electron transport material used in inverted perovskite solar cells

ABSTRACT

Inverted perovskite solar cells (PSCs) have attracted much attention due to their low-temperature and solution-based process. Electron transport layers are important components in inverted PSCs. Non-fullerene n-type organic small molecules seem to be more attractive as electron transport layers, because their structures are easy to be synthesised and modified. In this paper, density functional theory and semi-classical Marcus electron transfer theory were used to explore the electron transport properties in three azaacene derivatives, including one experimentally reported molecule, 1,4,9,16-tetrakis((triisopropylsilyl)ethynyl)quinoxalino[2^?,3^?:4^″,5^″]cyclopenta[1^″,2^″,3^″:5^′,6^′]acenaphtho[1^′,2^′:5,6]pyrazino[2,3-b]phenazine (1), and two theoretically designed molecules (2 and 3). Compound 2 is formed by substituting i-Pr groups in compound 1 with H atoms, which is designed to evaluate the effect of i-Pr groups on the electron transport properties. Compound 3 is designed by adding one more benzopyrazine group to the conjugation structure of compound 1. It shows that i-Pr group can increase HOMO and LUMO energy levels and improve solubility in organic solvent and hydrophobicity. Enlarging conjugation can not only decrease LUMO energy level and electron reorganisation energy, but also can increase solubility and electron mobility. So our designed compound 3 is expected to be a potential electron transport material in inverted PSCs.     

MlNi4Al和MlNi4Mn贮氢电极性能的研究

ＭｌＮｉ４Ａｌ和ＭｌＮｉ４Ｍｎ贮氢电极性能的研究＊赵东江马松艳（绥化师专化学系绥化１５２０６１）关键词贮氢电极循环寿命自放电中图分类号Ｏ６４６．５４镍／氢化物（Ｎｉ／ＭＨ）二次电池以其洁净、安全、高容量、大功率及长寿命等特点受到极大关注。贮氢电极材料...     

1．55μm InGaAsP／InP应变量子阱激光器的LP－MOCVD生长

本文首次报导了生长温度为５５０℃，以三甲基镓（ＴＭＧａ）和三甲基铟（ＴＭＩｎ）为Ⅲ族源，用低压金属有机物气相沉积（ＬＦＭＯＣＶＤ〕技术，高质量１．６２ｕｍ和１．３ｕｍＩｎＧａＡｓＰ及Ｉｎ０．５７Ｇａ０．４３Ａｓ０．９８Ｐ０．０４／Ｉｎ０．７３Ｇａ０．２７Ａｓ０．６Ｐ０．４量子阶结构的生长，并给出了１．５５ｕｍＧａＡｓＰ／ＩｎＰ分别限制应变量子阱结构激光器的生长条件，激光器于室温下脉冲激射，其阈值电流密度为２．４ｋＡ／ｃｍ２。     

非光滑区域上Schrodinger方程的L~2-Neumann问题

考虑在无界Ｌｉｐｓｃｈｉｔｚ区域上Ｓｃｈｒｏｄｉｎｇｅｒ方程－ｕ、ｉ（ｄｌｌ０的Ｌ２－Ｎｅｕｍａｎｎ边值问题。假设位势非负且满足逆Ｈｏｌｄｅｒ条件，本文证明上面问题的解存在唯一，并且具有一致正则性。