AB_5型储氢合金及混合稀土的ICP-AES分析

对于制备镍氢电池负极材料的 AB5型储氢合金 ,制备储氢合金的原材料混合稀土主体元素和杂质元素的分析方法进行了较为详尽的研究。利用仪器的功能软件初步选出各分析元素的多条谱线 ,通过综合考察各干扰元素对分析元素波长的干扰系数 ,确定出各元素的最佳分析波长 ,部分受干扰的元素用干扰系数校正法进行了校正。本法应用于实际产品分析 ,分析精密度为 0 .12 %— 1.32 %之间 ,回收率在94 %— 10 6%之间。     

柱前衍生—反相高效液相色谱法测定钢铁及合金中铌

建立了反相液相色谱法测定钢铁及合金中铌的分析方法。采用HNO3 HF H2 SO4 溶解样品 ,用酒石酸络合铌 ,以 2 (5 溴 2 吡啶偶氮 ) 5 二乙基氨基酚为柱前衍生试剂 ,在C18柱上用甲醇 水 (体积比为 5 6∶4 4 )为流动相 ,其中含 0 .0 1mol·L- 1pH为 3.5的HOAc NaOAc缓冲液。在60 0nm处测定了铌的配合物 ,方法检出限为 1.5 μg·g- 1。应用此法直接测定了合金铸铁和中低合金钢样品中铌 ,其加标回收率为 96.8%～ 10 3.2 %     

化学镀镍磷合金镀层孔隙率的电化学评价

本文通过研究镍磷合金、镍磷合金镀层和碳钢在不同浓度硝酸溶液中的动电位极化曲线 ,选择了能够快速检测镍磷合金镀层孔隙率的硝酸浓度 ,并对不同厚度的镍磷合金镀层试样进行评价 .结果表明 :镍磷合金镀层在 1 0 %硝酸溶液中的动电位极化曲线能准确地反映镀层的孔隙率 ,该硝酸溶液最适合作为应用电化学方法检测镀层孔隙率的检测溶液 ,其变化规律是随着镀层孔隙率的减少 ,镀层的腐蚀电位逐渐正移 .应用常规的孔隙率检测方法只能检测较大的孔隙 .     

9-(3，5-二溴)水杨基荧光酮-溴化十六烷基三甲铵荧光光度法测定微量铝

研究了９－（３,５－二溴）水杨基荧光酮与铝（Ⅲ）的反应条件。在ＰＨ５．５的（ＣＨ２）６Ｎ４－ＨＣＬ缓冲溶液中,ＡＩ（Ⅲ）与试睡成络合物使试剂的荧光猝灭。建立了铝－９－（３,５－二溴）,水杨基荧光酮体系测定痕量铝的荧光光度法。荧光强度与铝的含量在０～１．４μｇ／ｍＬ范围内呈线性关系。本法已用于合金风标样中铝的测定。     

ICP-AES 法测定 RZnAl5RE 合金中的镧、铈、铁、铝、铅、镉

采用ＩＣＰ－ＡＥＳ测定了ＲＺｎＡｌ５ＲＥ合金中的Ｌａ、Ｃｅ、Ｆ３、Ａｌ、Ｐｂ、ＣＤ元素含量。考察了基体及无机酸浓度对６种元素线强度的影响。选择了仪器工作条件,检出限在０．０３～１．００μｇ／Ｌ之间,加标回收率为９３％～１０８％,相对标准偏差小于１２．６８％（ｎ＝１０）。     

(CoMn)n(n=1～5)合金团簇的结构和磁性

All geometry structures of (CoMn)n (n=1-5) clusters were optimized, and the energy, frequence and magnetism of (CoMn)n (n=1-5) clusters were calculated by using the local spin density approximation and generalized gradient approximation of density functional theory. The same ground state structures of CoMn alloy clusters were confirmed in two methods, and magnetism of CoMn alloy ground state clusters was studied systemically. In order to understand structure and magnetism of CoMn alloy clusters better, Co2n (n=1-5) and Mn2n (n=1-5) clusters were calculated by the same method as alloy clusters, whose ground state structure and magnetism were confirmed. Moreover, the ground state structure and magnetism of clusters with the corresponding CoMn alloy clusters was compared. Results indicated that for (CoMn)n (n=1-4) clusters, geometry structures of CoMn alloy clusters are the same as the corresponding pure clusters still, (CoMn)3 and (CoMn)4 exhibit magnetic bistability, show ferromagnetic and anti-ferromagnetic coupling, local magnetic moment of Co, Mn atoms in CoMn alloy clusters almost preserves magnetism of pure clusters still.     

双金属合金团簇M12Ni(M=Pt,Sn,Cu)催化甲烷干法重整反应的理论研究

利用密度泛函理论(DFT)研究了M₁₂Ni(M=Pt, Sn, Cu) 3种双金属合金团簇的电子活性和结构稳定性, 并探讨了甲烷干法重整反应(DRM)在M₁₂Ni双金属团簇表面的反应能量变化情况. 经比较发现甲烷脱氢和二氧化碳活化过程在Pt₁₂Ni团簇表面进行需克服的活化能垒最低, 反应最易进行. Sn₁₂Ni团簇上生成碳需要较高的活化能, 说明Sn₁₂Ni团簇能够有效抑制焦碳的生成, 一定程度上克服了碳沉积导致的催化剂失活现象, 并且Sn₁₂Ni团簇在C ^*和CH ^*氧化过程中表现出最佳的催化活性. Cu₁₂Ni团簇仅在甲烷脱氢过程中表现出较为优异的催化活性.     

Atomistic modeling of surface and bulk properties of Cu, Pd and the Cu–Pd system

The BFS method for alloys is applied to the study of the Cu–Pd system. A variety of issues are analyzed and discussed, including the properties of pure Cu or Pd crystals (surface energies, surface relaxations), Pd/Cu and Cu/Pd surface alloys, segregation of Pd (or Cu) in Cu (or Pd), concentration dependence of the lattice parameter of the high temperature fcc CuPd solid solution, the formation and properties of low temperature ordered phases, and order–disorder transition temperatures. Emphasis is made on the ability of the method to describe these properties on the basis of a minimum set of BFS universal parameters that uniquely characterize the Cu–Pd system.     

Monitoring dynamics of electrode reactions in Li-ion batteries by in situ ESEM

This paper introduces a novel in situ method for monitoring electrode reactions in lithium-ion batteries parallel to the electrochemical experiment (in situ electrochemical environmental scanning electron microscopy). Alloy and alloy/carbon composite electrodes suffer from large volume changes followed by cracking and loss of electronic contact of the particles. The measurement setup and the cell principle are described. Reactions occurring on the surface of a Sn/carbon/binder composite electrode during the lithiation process are presented for illustration. The new method provides insight into the dynamics of electrode reactions, shape changes of particles, spatial distribution of solid electrolyte interphase reactions, etc.     

Influence of N cluster states on band dispersion in GaInNAs quantum wells

We use a modified band-anticrossing (BAC) model to investigate the band dispersion in a GaN_xAs_1-x/AlGaAs quantum well (QW) as a function of hydrostatic pressure. The band edge mass increases considerably more quickly with pressure than in the case of a GaAs/AlGaAs QW, and the subband separation also decreases significantly. We predict that the strong anticrossing interaction between the GaAs host conduction band and isolated N levels will inhibit tunnelling through the QW for a range of energy above the isolated N levels. The energy of N resonant states depends strongly on details of the local environment, giving a broader calculated distribution of N states in GaInNAs compared to GaNAs.