A DFT theoretical study of CH_4 dissociation on gold-alloyed Ni(111)surface

A density-functional theory(DFT)method has been conducted to systematically investigate the adsorption of CHx(x=0～4)as well as the dissociation of CHx(x=1～4)on(111)facets of gold-alloyed Ni surface.The results have been compared with those obtained on pure Ni(111)surface.It shows that the adsorption energies of CHx(x=1～3)are lower,and the reaction barriers of CH4 dissociation are higher in the first and the fourth steps on gold-alloyed Ni(111)compared with those on pure Ni(111).In particular,the rate-determining step for CH4 dissociation is considered as the first step of dehydrogenation on gold-alloyed Ni(111),while it is the fourth step of dehydrogenation on pure Ni(111).Furthermore,the activation barrier in rate-determining step is higher by 0.41 eV on gold-alloyed Ni(111)than that on pure Ni(111).From above results,it can be concluded that carbon is not easy to form on gold-alloyed Ni(111)compared with that on pure Ni(111).     

Improved performances of β-Ni(OH)2@reduced-graphene-oxide in Ni-MH and Li-ion batteries

Incorporation of reduced graphene oxide into β-Ni(OH)(2) presents high performances with specific discharge capacity of 283 mA hg(-1) after 50 cycles in Ni-MH batteries, and 507 mA hg(-1) after 30 cycles in Li ion batteries.     

气压对压力容器前壁超高速撞击损伤的影响

充气压力容器在超高速撞击下的典型损伤包括穿孔及其边缘的裂纹失稳破坏,会导致气体泄漏或爆炸,内压对容器前壁损伤的影响仍不明确。以不同内压的球形铝合金充气压力容器为研究对象,开展了球形铝合金弹丸超高速撞击实验和数值模拟计算,分析了内充气体压强对前壁穿孔形貌特征、穿孔直径、孔边环向应力等的影响规律和影响机理,讨论了气体冲击波的传播行为及影响前壁穿孔边缘裂纹失稳破坏的机制。结果表明:前壁穿孔边缘内翻边形貌与内压相关,内压越高,弯折程度越轻;穿孔直径与内充气体压强正相关,但气体对孔径的影响远小于容器壁厚及撞击速度的影响;穿孔边缘使裂纹失稳破坏的环向拉应力不仅受到后壁反射冲击波的影响,也与容器壁内应力波的传播有关,与内压成正比。     

200KV重离子加速器及其应用

本文介绍一台采用双潘宁型多电荷重离子源的200kV重离子加速器,简述它在GaP光探测器的研制、聚合物材料和金属材料的离子注入改性等方面的研究与应用。     

MOCVD技术制备的ZnS:Mn电致发光薄膜结晶性及Mn2+分布

本文报导了用MOCVD技术制备的ZnS:Mn电致发光薄膜为立方晶相,结晶取向性好,颗粒大。从高倍率的扫描电镜拍摄的照片观察到薄膜的表面平滑。SIMS测量表明Mn2+在ZnS薄膜纵向分布均匀,但在两侧有起伏,可能的原因是在生长的初终阶段流量的突变使化合物的化学计量比偏离而产生位错,引起原子的局部堆积,并且由于初终阶段ZnS:Mn生长的衬底不同使原子堆积层厚度不同。     

低密度聚乙烯光引发交联机理

首次用溶液高分辨￣（１３）ＣＮＭＲ研究了由二苯甲酮光引发低密度聚乙烯（ＬＤＰＥ）交联所产生的交联结构，现已观测和鉴定了Ｈ型和Ｙ型长链支化两类交联点。对于熔融态紫外光交联５－１０ｓ的ＬＤＰＥ样品，其Ｈ型和Ｙ型交联点的浓度据估测分别为一万个碳原子中有５．７－１６．９和７．６－２１．６个结构单元。     

关于映射同伦类的拓扑熵

设ｆ：Ｔ＾ｍ→Ｔ＾ｍ为ｍ维环面自映射，Ｎ＾∞（ｆ）是ｆ的渐近Ｎｉｅｌｓｅｎ数，本文应用Ｎｉｅｌｓｅｎ不动点理论，给出了ｌｏｇＮ＾∞（ｆ）是ｆ的同伦类的拓扑熵的最好下界的一个充要条件；并通过在齐性空间上引入等价度量，将此结论推广到了幂零流形自映射的情形。     

ZnCdTe-ZnTe多量子阱的电场效应

本文报导了电场作用下ZnCdTe-ZnTe多量子阱的激子发光特性.用激子局域化的观点解释了激子发光峰随电场增强而增强的现象.在Zn0.8Cd0.2Te-ZnTe多量子阱中观察到了电场作用下自由激子发光谱峰较大的红移和较快的发光淬灭     

Preparation and characterization of CdGeAs2 crystal by modified vertical Bridgman method

A large, crack-free CdGeAs₂ single crystal measuring 15 mm in diameter and 45 mm in length was grown in a vertical three-zone tubular furnace by a modified vertical Bridgman method, i.e. quasi-seed technique with small temperature gradient and descending quartz ampoule. High-purity, single phase CdGeAs₂ polycrystallite for crystal growth was synthesized using a rocking furnace with temperature oscillation techniques. Various measuring means, including X-ray diffractometer(XRD), Fourier transform infrared spectroscopy(FTIR), and Field emission scanning electron microscope(FE-SEM) were adopted to characterize the as-grown crystal. It is found that the cleavage plane of the as-grown crystal is {1 0 1} face; the crystal is integrated in structure and crystallized well; etch pits in the shape of pentagon on (1 1 2) face have been observed for the first time using the new preferential etchant we prepared. All these results encouragingly indicate that the modified vertical Bridgman method is a convenient and effective way for high quality CdGeAs₂ crystal growth.     

The optimal execution strategy of employee stock options

In this paper, we develop an optimal execution strategy for employee stock options by means of the fluid model, in which a voluntary turnover is considered. We show that the value function is the viscosity solution of the Hamilton-Jacobi-Bellman variational inequality and prove the uniqueness of the viscosity solution. Finally, we present numerical illustrative examples and numerical solutions of optimal strategies which are computed by the finite difference method.