Al,Fe, Mg掺杂Li2MnSiO4的电子结构和电化学性能的第一性原理研究

硅酸锰锂作为锂离子电池正极材料因具有高的理论电容量而一直备受关注, 但其较低的导电率和较差的循环性能阻碍了进一步的发展. 采用第一性原理广义梯度近似GGA+U的方法, 研究了Al, Fe, Mg掺杂Li₂MnSiO₄的电子结构、 脱嵌锂电压和导电性. 研究发现, Al 掺杂的Li₂Mn_0.5Al_0.5SiO₄结构中载流子的数目增加, 电子自旋向上和向下的态密度均穿过费米能级, 呈现金属特性, 提高了体系的导电率. 脱锂Li_xMnSiO₄ (x=1, 0)结构中, 通过计算一次脱锂相结构的形成能得到Al掺杂的一次脱锂结构最稳定, 并且Al掺杂的脱锂相结构体积变化小, 有利于材料循环性能的提高, 同时第一个锂离子脱嵌电压与未掺杂时(4.2 V)相比降低到2.7 V. Fe掺杂降低了Li₂MnSiO₄的带隙, 第一个锂离子脱嵌电压降低到3.7 V. 研究表明, Al的掺杂效果优于Fe和Mg, 更利于硅酸锰锂电化学性质的提高.     

ZnO-SnO_2透明导电薄膜的制备及性能研究

采用二步成胶工艺制备ZnO-SnO_2透明导电薄膜,应用X射线衍射、原子力显微镜、紫外-可见分光光度计、薄膜分析仪及四探针仪等对薄膜的结构、表面微观形貌、透过率和导电性能进行表征.结果表明,锌锡摩尔比为9/12,退火温度为500 ℃时,薄膜的透过率达90%,电阻率为3.15×10~(-3) Ω·cm.与其它工艺相比,二步成胶工艺所制备出的ZnO-SnO_2透明导电薄膜性能优异.     

Role of Oxygen Vacancy Arrangement on the Formation of a Conductive Filament in a ZnO Thin Film

We perform first-principles calculations for ZnO thin films with oxygen vacancy defects. The densities of states, partial atomic densities of states, charge density differences and atomic populations are presented. We show that the SET process, i.e., from a high resistive state to a low resistive state, is attributable to the aggregation and regular arrangement of the oxygen vacancies, which causes the formation of conductive filaments and leads to the low resistive state of the system.     

The Effect of the Semiconductive Screen on Space Charge Suppression in Cross-Linked Polyethylene

The space charge distributions of cross-linked polyethylene （XLPE） with Borouge＇s BorlinkTM semiconductive screen type LE0550 and LE0595 from a pulsed electro-acoustic method are obtained. The contact interface morphology at the semiconductive screen and the structure of XLPE near the interface are characterized. The dielectric spectrum and the conductivity current of XLPE with the different semiconduetive electrodes are com- pared. The semiconduetive screen changes the structure and the dielectric characteristic of XLPE near the contact interface, which may be the main reason for space charge suppression in XLPE with Borouge＇s type LEO550 semiconduetive screen.     

常压溶剂法合成抗氧剂3114反应热力学和动力学

研究了常压溶剂法一步合成抗氧剂3114反应热力学和动力学过程。控制温度在117±2℃,研究结果表明,反应是零级反应,反应速率常数为k=1．91×10^-3／min,反应的平衡常数为K=138．4（mol／L）^-6,反应活化能Ea=1366J／mol。     

Van der Pauw Hall Measurement on Intended Doped ZnO Films for p-Type Conductivity

A Van der Pauw Hall measurement is performed on the intended doped ZnO films （Na doped ZnO） grown by using the molecular beam epitaxial method. All as-grown samples show n-type conductivity, whereas the annealed samples （annealing temperature 900℃） show ambiguous carrier conductivity type （n- and p-type） in the automatic Van der Pauw Hall measurement. A similar result has been observed in Li doped ZnO and in as-doped ZnO films by other groups before. However, by tracing the Hall voltage in the Van der Pauw Hall measurement, it is found that this alternative appearance of both n- and p-type conductivity is not intrinsic behavior of the intended doped ZnO films, but is due to the persistent photoconductivity effect in ZnO. The persistent photoconductivity effect would strongly affect the accurate determination of the carrier conductivity type of a highly resistive intended doped ZnO sample.     

透明导电薄膜ITO对浅面浮雕VCSEL的影响

对于顶面出光的浅面浮雕VCSEL结构,有源区的电流密度分布的不均性制约着单模稳定性的提高。为此,提出了一种新型结构:氧化铟锡透明导电薄膜(ITO)浅面浮雕VCSEL。该结构不仅能够增大高阶模式的阈值增益,还能够提高基模的增益,实现基模对高阶模式的稳定抑制。研究了ITO的厚度对阈值增益的影响及ITO对VCSEL有源区电流密度分布的影响。研究结果表明:在ITO的厚度为半波长的整数倍时,基模对高阶模式的限制作用最强;ITO通过改善VCSEL有源区的电流密度分布,达到了增大基模的增益和降低高阶模式增益的目的,同时还降低了串联电阻和外电压。     

被动补偿脉冲发电机涡流损耗的解析计算

在假设转子导电筒中涡流面电流与定子无槽电枢绕组面电流相同、相位相反的条件下,条件麦克斯韦方程组,通过分析被动补偿脉冲发电机导电筒中涡流分布,导出了被动补偿脉冲发电机导电筒涡流损耗的解析表达式,并计算了涡流损耗对25MW样机运行的影响。     

非晶化木薯淀粉交联反应动力学

以非晶化木薯淀粉为原料,通过湿法交联合成淀粉磷酸酯,研究了非晶化木薯淀粉交联反应动力学过程,计算出表观活化能Ea,讨论了不同温度对交联反应速率的影响。通过与木薯原淀粉湿法交联对比,研究了非晶化处理对淀粉后续反应的影响。结果表明,非晶化处理后,淀粉交联反应的反应取代度和反应程度均提高,表观活化能降低了23%,反应活性得到大大提高。