针形锂电池CR425的研制

采用Li—MnO2电池材料和工艺制造CR425锂电池．重点对正极活性物质的加工制备及电池组装工艺进行了试验和改进．通过XRD试验测试了热处理前后电解二氧化锰(EMD)的结构，对制备的电池在不同温度下进行恒电流和恒电阻放电，并对贮存1周、3个月和6个月电池的开路电压、短路电流、内阻及放电容量进行了测试．结果表明，电池性能完全满足CR425锂电池的技术要求，可作为夜间钓鱼时的发光浮标或商务通用笔夜间使用时的照明电源．     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

A Novel Process for Synthesis of Ultrafine BaTiO3 Powders

A novel process termed low-temperature combustion-synthesis (LCS) of Ba(NO3)-TiO-C6H8O7H2O system was investigated at the initial temperature of 600℃ and ultrafine BaTiO3 powders with a particle size of 200€?350nm were prepared. It was found that the molar ratio of NO/citric acid and the homogeneity of combustion have remarkable effect on the characteristics of the powder. The reaction mechanism of LCS BaTiO3 powders was proposed on the basis of thermodynamic analysis.     

SAG法合成钛酸铅纳米晶粒的工艺和结构研究

ＳＡＧ法合成钛酸铅纳米晶粒的工艺和结构研究李永祥刘泽吴冲若（东南大学电子工程系,南京２１００９６）ＰｂＴｉＯ３是应用广泛的铁电和光电材料之－,研究ＰｂＴｉＯ３纳米晶粒的合成技术和电学性能对基础研究和新型复合功能材料研究都有重要意义．作者曾采用Ｓｏｌ...     

SrxBa1—xTiO3陶瓷的频域介电谱

用固相反应法制备ＳｒｘＢａ１－ｘＴｉＯ３系列陶瓷．当ｘ＝０．３０时呈现显著的驰豫相变特征．在５Ｈｚ至１ＭＨｚ范围,相对介电常数的实部ε′随频率ｆ的降低而增大．１／ε′与ｌｇｆ的关系曲线呈现折曲的２段直线．高频相对介电常数的实部ε′ｈ随ｘ的增加而增大是与顺电相的增加而对应．测量点（ε′,ε″）随频率ｆ的变化分布在复平面的一条直线上．     

纳米Al(OH)3干法表面改性及其在EVA中的应用

研究了钛酸酯偶联剂T对纳米Al(OH)₃的干法改性工艺，确定了偶联剂最佳质量分数0.5%、改性时间25min、改性温度100～110℃。采用红外光谱、TEM等检测手段对改性结果进行表征，改性后无机粉体表面包覆有机基团，吸油值减小，团聚减弱，比表面积增加。改性Al(OH)₃在乙烯-醋酸乙烯共聚物(EVA)中具有良好的分散性，阻燃效能提高，并保持了材料的力学性能。     

光子晶体用PS/Ti(OBu)4复合乳胶粒的制备

将乳液聚合形成的聚苯乙烯乳胶粒子在苯／无水乙醇／钛酸丁酯的混合液中溶胀，使钛酸丁酯在溶胀吸附过程中进入乳胶粒内部，以构制复合乳胶粒子，并用红外光谱、透射电镜和差热分析等方法对复合乳胶粒子的组成、形貌、热稳定性和热转变进行了研究。结果表明，在苯／无水乙醇／钛酸丁酯混合介质中，聚苯乙烯乳胶粒并不溶解，但可以溶胀，并吸入钛酸丁酯，经水解后，形成聚苯乙烯／二氧化钛乳胶粒，二氧化钛最高含量可达10％左右。     

脉冲激光沉积法制备氧化铋薄膜及其电化学性质研究

首次采用355nm脉冲激光沉积在不锈钢基片上制备了氧化铋薄膜，X—射线衍射(XRD)测试表明在基片温度为300℃，沉积时间为0．5h制备得到的Bi2O3薄膜具有四方结构，SEM和Raman光谱测定对该Bi2O3薄膜的表面形貌和锂化前后的结构进行了表征，结果表明薄膜由小于100nm针状晶粒组成，锂化后的产物可能是LixBi2O3。此外，由电位阶跃法测定了上述Bi2O3薄膜电极的锂离子扩散系数。电化学测定表明，上述Bi2O3薄膜具有充放电循环性能,在电压范围为0．70～3．5V，该氧化铋薄膜在充放电速率为2C时的比容量大约为100mAh／g，并且保持经100次以上充放电循环而没有明显的衰减。     

用手性醇改性的铝锂试剂对芳酮的不对称还原

为开发新型手性铝锂试剂，探讨双不对称诱导效应，选用含杂原子的光学活性氨基酸为辅助配体，与1，2，5，6—二丙酮甘露醇共同修饰LiAIH4，对潜手性芳酮进行不对称还原，得到光学活性醇；通过与α—D-乙酰氧基—L-丙酰氯生成非对映异构体酯，经气相色谱分析，对映体过量在43．6％。N．7％之间。结果表明辅助配体的绝对构型、空间位阻、β位杂原子对光学产率均有影响。