ESR方法研究高TC氧化物的超导电性

用电子顺磁共振方法研究了一些高温超导氧化物样品的零场非共振吸收信号和正常的ＥＳＲ共振信号。认为这种方法可以作为鉴别样品进入超导态的实验判据之一。利用零场非共振吸收实验给出的下临界磁场Ｈｃ１（Ｔ）很好地遵多Ｈｃ１（Ｔ）＝Ｈｃ１（０）（１－Ｔ＆＾２／Ｔｃ＾２）。     

不含稀土元素的高温超导体

氧化物高温超导材料La2-xMxCuO4-y(M为Ba,Sr或Ca)和ReBa3Cu3O7-y或大部分稀土元素)的发现,是超导电性研究的一个重要的里程碑.这类材料晶体结构的特点是含有二维Cu-O2平面层,人们认为高温超导电性与此密切相关.因此,晶体结构中含有这种Cu-O2平面层的新材料可望是高温超导体.最近,人们用Bi或T1替代上面两类材料中的稀土元素,合成出了新的稳定的高温超导材料,从而在这个以Cu-O2平面层为结构特征的高温超导家族中又添加了新的成员. 1987年五月,法国Caen大学的C.Michel和B.Raveau等人报道了他们的发现[1]:在接近Bi2Si2Sr2Cu2O7 y成…     

Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

Upconversion luminescence of Tm^3＋/Yb^3＋ codoped oxyfluoride glasses

Novel oxyfluoride glasses are developed with the composition of 30SiO2-15Al2O3-28PbF2-22CdF2-0.1TmF3 - xYbF3 - （4.9 - x） AlF3（x=0, 0.5, 1.0, 1.5, 2.0） in tool fraction, Furthermore, the upconversion luminescence characteristics under a 970nm excitation are investigated. Intense blue, red and near infrared luminescences peaked at 453nm, 476nm, 647nm and 789nm, which correspond to the transitions of Tm^3＋： ^1D2 →^3F4, ^1G4 →^3H6, ^1G4 →^3F4, and ^3H4 →^3H6, respectively, are observed. Due to the sensitization of Yb^3＋ ions, all the upconversion luminescence intensities are enhanced considerably with Yb^3＋ concentration increasing. The upconversion mechanisms are discussed based on the energy matching rule and quadratic dependence on excitation power. The results indicate that the dominant mechanism is the excited state absorption for those upconversion emissions.     

燃料电池的应用和发展

 燃料电池(fuelcells,FCs)是继火电、水电和核电之后的第四代发电技术。它是一种将储存在燃料(如氢气)和氧化剂(如氧气)中的化学能,通过电化学反应过程直接转化为电能的电化学发电装置。它是唯一同时兼备无污染、高效率、适用广、无噪声和具有连续工作和模块化的动力装置,被认为是21世纪最有发展前景的高效清洁发电技术。     

Effects of barium on the nonlinear electrical characteristics and dielectric properties of SnO2-based varistors

The effects of barium on electrical and dielectric properties of the SnO_2·Co_2O_3·Ta_2O_5 varistor system sintered at 1250℃ for 60min were investigated. It is found that barium significantly improves the nonlinear properties. The breakdown electrical field increases from 378.0 to 2834.5V/mm, relative dielectric constant (at 1kHz) falls from 1206 to 161 and the resistivity (at 1kHz) rises from 60.3 to 1146.5kΩ·cm with an increase of BaCO_3 concentration from 0mol% to 1.00mol%. The sample with 1.00mol% barium has the best nonlinear electrical property and the highest nonlinear coefficient (α=29.2). A modified defect barrier model is introduced to illustrate the grain-boundary barrier formation of barium-doped SnO_{2}-based varistors.     

CuZnAlZr催化剂上甲醇氧化水蒸气重整制氢I．催化剂组成的优化

采用共沉淀法制备了不同配比的CuZnAlZr复合氧化物催化剂，并通过XRD和TPR等表征技术及活性评价，考察了催化剂各组分配比对活性的影响，从而对各组分配比进行了优化．结果表明，组成为(Cu7Zn3)7(Al6Zr4)3的催化剂具有最高的催化活性，反应温度为200℃时，甲醇转化率可高达91％，而重整气体中CO的体积分数仅为0．12％．具有较高分散性及高还原性能的表相Cu组分的增加有利于提高催化剂的活性，Zn可以起到隔离和分散Cu的作用，而Al和Zr的存在可以稳定表相Cu^2 的存在形式．