First-principles study on magnetism of different dimensional Ru systems

The magnetism, the magnetocrystalline anisotropy and the optical properties of the monolayer and atomic chain of 4d transition-metal Ru are investigated by using the full-potential linearized-augmented-plane-wave method in a generalized gradient approximation. The magnetic moments are 1.039~μ __B/atom and 1.130~μ_B/atom for the monolayer and atomic chain, respectively. Both systems have large magnetocrystalline anisotropy energy (MAE). The magnetic easy axis is normal to the monolayer and perpendicular to the chain axis in the atomic chain. The optical properties of the two low-dimensional Ru systems are investigated by calculating the complex optical conductivity tensor. Both systems exhibit anisotropy in photoconductivity, especially for the atomic chain. The physical origins of MAE and photoconductivity are studied based on electronic structures. It is found that the changes in crystal field caused by different symmetry-breaking mechanisms in the two low-dimensional Ru systems result in MAE through spin--orbit coupling, while the anisotropy in photoconductivity mainly comes from the crystallographic anisotropy.     

Fabrication and optical properties of platinum nanowire arrays on anodic aluminium oxide templates

Arrays of Pt nanowires, fabricated by electrodepositing Pt metal into nanoporous anodic aluminium oxide (AAO) templates, exhibit a preferable optical absorption band in the ultraviolet-visible (UV-VIS) spectra and present a blueshift as the wire aspect ratio increases or its radius decreases. This type of optical property of Pt nanowire/porous alumina composites has been theoretically explored using Maxwell－Garnett (MG) effective medium theory. The MG theory, however, is only applicable to nanowires with an infinitesimally small radius relative to the wavelength of an incident light. The nanowire radius is controlled by the pore radius of the host alumina, which depends on anodizing conditions such as the selected electrolyte, anodizing time, temperature and voltage. The nanowire aspect ratios depend on the amount of Pt deposited into the nanopores of AAO films. The optical absorption properties of the arrays of Pt nanowires with diameters of 24, 55 and 90 nm have been investigated by the UV-VIS spectra, which show that the extinction maximum (λ_max) shifts to shorter wavelength side as the wire aspect ratio increases or its radius decreases. The results are qualitatively consistent with those calculated based on the MG theory.     

Periodical interfacial cracks in anisotropic elastoplastic media

By using Fourier transformation the boundary problem of periodical interfacial cracks in anisotropic elastoplastic bimaterial was transformed into a set of dual integral equations and then it was further reduced by means of definite integral transformation into a group of singular equations. Closed form of its solution was obtained and three corresponding problems of isotropic bimaterial, of a single anisotropic material and of a bimaterial of isotropy- anisotropy were treated as the specific cases. The plastic zone length of the crack tip and crack openning displacement ( COD) decline as the smaller yield limit of the two bonded materials rises, and they were also determined by crack length and the space between two neighboring cracks . In addition , COD also relates it with moduli of the materials .     

5-Br-PADAP—H_2O_2-CPB与微量钒(Ⅴ)多元络合物的研究

5-Br-PADAP-过氧化氢三元络合物测定钒,已被广泛采用。结合资料,研究了5-Br-PADAP-过氧化氢-溴代十六烷基吡啶(简称CPB)和钒(V)形成的多元络合物,当硫酸0.12～0.24N时,在EDTA(或CYDTA)-柠檬酸三铵的存在下,摩尔吸光系数比原来提高了一倍左右,ε_(595)=1.22×10~5(铁基存在时,ε=1.02×10~5),高低合金钢中除钴以外的常见元素均不干扰,可见本方法具有较好的选择性和很高的灵敏度。     

技术磁化理论的可贵参考书──简评钟文定著《铁磁学》中册

钟文定所编《铁磁学》中册的出版,给大专院校的《铁磁学》课程及有关的科技人员提供了一本可贵的参考书.此书将有力地推动我国磁学和磁性材料学科的发展. 铁磁学是研究强磁性物质磁性起源、磁化机制、磁化过程及其对外界条件(如温度、压力等)的依从性规律的学科.由于磁性现象的复杂性,要将磁性材料的研究结果系统化并上升为规律性的认识是件比较困难的工作.各国学者为此进行了长期的努力.E.Kneller的“Fe-rromagnetismus”(1962),S.Chikazumi 的 “ Physics　of Magnetism”(1964),A.H.Mo-rrish的“The Physical Principles of Magne-…     

SPOC模式下无机与分析化学课程教学实践

以无机与分析化学课程教学为例,探讨了SPOC混合教学模式下提高学生知识与能力的有效途径。在该课程教学中的应用和考核评价中,采用课堂教学与在线自主学习相结合的教学方式,实现了以能力培养为目标的本科教育模式的"三个转变":(1)以教为主向以学为主的转变;(2)以课堂教学为主向课内课外结合为主的转变;(3)以结果评价为主向以结果与过程评价相结合为主的转变。有效地提高了教学质量,突出地解决了目前高等院校本科教育模式面临的学生学习主动性差、参与度少的问题。     

表面活性剂在极谱分析中的应用——Ⅰ.钐在铜铁试剂(Cup)-聚乙二醇辛基苯基醚(乳化剂OP)-氯化铵体系中的极谱性能及应用

前言钐在铜铁试剂-乳化剂OP-氯化铵体系中,能产生灵敏的络合吸附催化波,检测下限达5.32×10~(-9)M钐浓度在6.6×10~(-9)M～6.6×10~(-8)M之间与导数波高之间成线性关系。非离子表面活性剂OP的存在使灵敏度提高近10倍。最佳分析条件为:pH4.4±0.2,0.04MNH_4Cl,0.004％Cup,0.0056％OP。经过分离,测定了矿石中痕量钐,得到了满意的结果。实验部分 (一)仪器与主要试剂 1.JP-IA型示波极谱仪:采用三电极系统:滴汞电极为阴极,铂电极为阳极,银片电极为参比电极。 2.三氧化二钐:光谱纯。配制成〔Sm~(3 )〕=0.1μg/ml的10％HCl溶液,用时稀释至所需浓度。     

α-铁纳米线阵列的磁矩分布

在多孔阳极氧化铝(AAO)模板中, 采用电化学方法制备出α-铁纳米线阵列复合膜. 用透射Mössbauer谱(MS)、内转换电子Mössbauer 谱(CEMS)和微磁学模拟对直径为60 nm的α-铁纳米线阵列进行了内部和端面磁矩分布的研究. 透射Mössbauer 谱的结果表明, α-铁纳米线阵列内部磁矩很好地平行于纳米线长轴方向, 而内转换电子 Mössbauer 谱观察表明, 位于纳米线阵列端面, 磁矩偏离纳米线的长轴方向分布, 由二、五峰的强度计算出平均偏角为24.0°. 另外, 用微磁学模拟方法对不同深度的磁矩分布做了数值统计, 结果表明, 在纳米线内部磁矩严格地平行于纳米线轴, 越趋近两端, 平均磁矩与纳米线轴的夹角越大. 磁性测量结果表明α-铁纳米线阵列宏观磁性表现出很强的磁各向异性.     

用于染料敏化太阳能电池的D5同类物分子设计(英文)

使用密度泛函理论(DFT)和含时密度泛函理论(TDDFT)以及自然键轨道(NBO)分析,设计比有机染料D5更优秀的用于染料敏化太阳能电池(DSSC)的D5同类物分子.在D5骨架的给电子基团上对称地引入给电子基(—OH,—NH2,—OCH3),既可以使分子的最低未占据分子轨道(LUMO)能级提高,又可以使吸收光谱红移,从而既提高染料分子捕获太阳辐射光子的能力,又提高由染料分子的激发态向TiO2电极注入电子的驱动力.在D5分子的骨架上,对称地引入受电子基(—CF3,—F,—CN),可以使染料分子的吸收光谱强烈地红移,从而更有效地利用太阳能.由LUMO能级的提高和吸收光谱的红移来考虑,所设计的D516,D536,D537分子是比D5优秀的同类物分子,其中D516是最好的.单从吸收光谱红移来考虑,所设计的D565,D567,D568分子是比D5优秀的同类物分子,其中D565的吸收光谱有望与太阳辐射光谱更好地匹配.挑选出来的这6种D5同类物分子都是D-π-A(电子给体-共轭π桥-电子受体)结构.这几种分子的光激发引起的最高占据分子轨道(HOMOs)到LUMOs的跃迁是π-π*跃迁,是分子内电荷转移,吸收光谱是电子吸收光谱,位于近紫外-可见光区.D516和D565有望成为比D5更优秀的用于DSSC的非金属有机染料分子.     

液相色谱-串联质谱法测定鸡饲料中硝基咪唑类药物

提出了鸡饲料中5种硝基咪唑类药物(甲硝唑、洛硝哒唑、二甲硝唑、替硝唑和奥硝唑)的液相色谱-串联质谱分析方法。鸡饲料样品经乙酸乙酯-5g.L-1碳酸钠混合溶液提取后,取有机相蒸发至干。用0.1mol·L-1磷酸溶液溶解残余物,HLB柱固相萃取净化,所得的乙腈洗脱液经C8色谱柱为分离柱,甲醇和水混合溶液为流动相作梯度淋洗,采用正离子模式多反应监测。5种硝基咪唑类药物的线性范围均为10～500μg.L-1,检出限(3S/N)均为10μg.kg-1。加标回收率为79.4%～91.3%,批内相对标准偏差(n=6)为5.5%～13.9%,批间相对标准偏差(n=6)为6.7%～18.2%。