单轴拉伸下氧化锆纳米柱相变机理的分子动力学研究

通过分子动力学模拟,观察到[001]取向的四方氧化锆纳米柱在拉伸载荷下具有两个线弹性变形的应力-应变关系.这一现象是四方结构向单斜结构相变的结果 .为了进一步阐明应力-应变曲线,进行了包括晶体结构分析和原子应变计算在内的详细研究.晶格取向强烈影响塑性变形机制,即[001]和[111]取向的纳米柱在拉伸载荷下经历相变,而沿[110]取向的纳米柱导致脆性断裂.观察到显著的温度效应,随着温度从300K升高到1500K,弹性模量从573.45GPa线性降低到482.65GPa.此外,还用轻推弹性带(NEB)理论估算了相变能垒,观察到相变能垒随温度的升高而降低.这一工作将有助于加深对氧化锆的四方相到单斜相转变和纳米尺度力学行为的理解.     

Zinc Stannate Nanostructures for Energy Conversion

To date,ternary metal oxide semiconductor materials have attracted extensive attention worldwide due to their unique optoelectronic properties.As a classical ternary oxide,Zn2SnO4 is featured with the high electron mobility,wide band gap,negligible visible light absorption and tailorable electronic band structures.Thus,it is an ideal material for practical use in solar cells,lithium batteries,sensors,and photo-catalysts.In this review,we summarize the recent research progress of this material with the focus on the synthesis methods,nanostructures,and the resulting effects on the crystal structure,optical properties,and photoelectrochemical properties.Moreover,their potential applications in different devices are highlighted and carefully discussed.     

Gain-clamped dual-stage L-band EDFA by using backward C-band ASE

A dual-stage L-band gain-clamped erbium-doped fiber amplifier (GC-EDFA) by using backward C-band amplified spontaneous emission (ASE) is proposed. Compared with other similar GC-EDFAs, the proposed structure has higher and flatter clamped gain in L-band because of its optimal pump power and EDF length. The flatness from 1570 nm to 1600 nm arrives 0.77 dB, the bandwidth of 3 dB is more than 35 nm and the maximal input signal power arrives −15 dBm.     

激光相干合成中单元的相位和振幅波动对合成光束远场分布的影响

运用傅里叶光学分析法推导出系统抖动造成单个光源的相位和振幅发生波动时的远场光强表达式,以1维阵列为例分析了系统抖动对远场的影响.研究表明:随着参与合束的发光单元数目的增加,尖峰变锐,能量更集中;系统抖动引起了远场峰值光强的减少.出现了本底现象,破坏了远场的对称性和光束质量;激光阵列单个光源的相位随机抖动应该控制在3 π/8范围内;相干合束发光单元数目越多,系统抖动对远场的影响越小.     

冷绝缘高温超导电缆电磁特性计算与分析

为了获得超导电缆电磁特性变化规律,针对冷绝缘高温超导电缆本体的基本结构,采用安培定律推导了超导电缆导体层和屏蔽层自感、互感的计算公式.通过110kV冷绝缘超导电缆的实例计算,研究了超导电缆导体层、屏蔽层的内径、绕向角、绕制方向三个结构参数对电磁特性的影响,总结了电感参数变化规律.     

关于分子分布律的教学

从教学角度来探讨既能使学生掌握统计概念又不至于使用太多的数学推导,由玻耳兹曼分布率导出麦克斯韦速率分布律。     

Scattering of gaussian beam by a ferrite cylinder

The scattering of a Gaussian beam by a ferrite cylinder is analyzed using two methods. The spatial pictures in the amplitude of the total Gaussian beam near the cylinder resulting from the two methods are both clarified and compared. The scattering by a ferrite cylinder coating a dielectric sleeve is also presented.     

Recent Progress on Nickel-Based Oxide/(Oxy)Hydroxide Electrocatalysts for the Oxygen Evolution Reaction

Developing clean and sustainable energies as alternatives to fossil fuels is in strong demand within modern society. The oxygen evolution reaction (OER) is the efficiency-limiting process in plenty of key renewable energy systems, such as electrochemical water splitting and rechargeable metal–air batteries. In this regard, ongoing efforts have been devoted to seeking high-performance electrocatalysts for enhanced energy conversion efficiency. Apart from traditional precious-metal-based catalysts, nickel-based compounds are the most promising earth-abundant OER catalysts, attracting ever-increasing interest due to high activity and stability. In this review, the recent progress on nickel-based oxide and (oxy)hydroxide composites for water oxidation catalysis in terms of materials design/synthesis and electrochemical performance is summarized. Some underlying mechanisms to profoundly understand the catalytic active sites are also highlighted. In addition, the future research trends and perspectives on the development of Ni-based OER electrocatalysts are discussed.     

Late-Stage Direct o-Alkenylation of Phenols by PdII-Catalyzed C−H Functionalization

o-Alkenylation of unprotected phenols has been developed by direct C−H functionalization catalyzed by Pd^II. This work features phenol group as a directing group and realizes highly site-selective C−H bond functionalization of phenols to achieve the corresponding products in moderate to excellent yields at 60 °C. The advantages of this reaction include unprecedented C−H functionalization using phenol as a directing group, high regioselectivity, good substrate scope, mild reaction conditions, and high efficiency. To the best of our knowledge, this is the first example of a regioselective C−H alkenylation of unprotected phenols utilizing phenolic hydroxyl group as a directing group. The alkenylation of unprotected tyrosine and intramolecular cyclization are also successfully carried out under this catalytic system in good yields. Furthermore, this novel method enables a late-stage modification of complex phenol-containing bioactive molecules toward a diversity-oriented drug discovery.