电荷掺杂和杂原子掺杂聚硅烷的比较性理论研究

本文利用GAUSSIAN 03程序包中的密度泛函理论,在B3LYP/6-31G(d)水平下,对聚21硅烷、电荷掺杂的聚21硅烷以及杂原子(硼和磷)掺杂的聚21硅烷进行几何全优化,并对它们的几何结构和自旋密度进行了比较性理论研究.结果表明,电荷掺杂能使聚硅烷的Si—Si键长增长,其极子分布几乎遍及了聚21硅烷的整个链;而杂原子(B、P)的掺杂对聚硅烷的影响主要集中在与B、P原子相邻的Si原子上,极子分布仅局域在B、P原子附近的3~5个原子上.     

Improvement in hydrogen storage performance of Mg by mechanical grinding with molten salt etching Ti3C2Clx

Mg-based materials are currently a hot research topic as hydrogen storage materials due to their considerable theoretical hydrogen storage capacity. However, the kinetic performance of hydrogen absorption and desorption of Mg is too slow and requires high temperature, which seriously hinders the application of this material. MXene is a new type of two-dimensional material with significant role in improving thermodynamics and kinetics. In this experiment, a two-dimensional layered MXene containing Cl functional group was prepared by molten salt etching using the Ti-containing MAX phase as the raw material. Then different ratios of Ti₃C₂Cl_x were uniformly dispersed onto the surface of Mg by high energy ball milling. The samples were characterized by hydrogen absorption and desorption kinetics, SEM, XRD, XPS, and DSC to investigate the effect of Ti₃C₂Cl_x on the hydrogen absorption and desorption performance of Mg. The onset hydrogen absorption temperature can be reduced to room temperature and the hydrogen release temperature is reduced by 200 ​°C by doping Ti₃C₂Cl_x. And there is also 5.4 ​wt% hydrogen storage in the isothermal hydrogen absorption test at 400 ​°C. The results of DSC demonstrate that the E_a of Mg+15 ​wt% Ti₃C₂Cl_x was reduced by 12.6% compared to pristine Mg. The ΔH is almost invariable. The results of XPS show that the presence of multivalent Ti promotes electron transfer and thus improves the conversion between Mg²⁺/Mg and H⁻/H. This study provides a guideline for further improving the hydrogen absorption and desorption performance of Mg-based hydrogen storage materials.     

PPV导电高分子膜可充电电池的特性研究

对导电高分子—聚对苯撑乙烯基ｐｏｌｙ－（ｐａｒａ－ｐｈｅｎｙｌｅｎｅｖｉｎｙｌｅｎｅ）（简称ＰＰＶ）膜电极和锂电极所组成的超薄型可充电电池的安装及反应机理进行研究,并对此电池特性作了深入的探讨．     

Bi含量对SrBi4Ti4O15铁电材料性能的影响

~~Bi含量对SrBi_4Ti_4O_(15)铁电材料性能的影响@朱骏$扬州大学物理科学与技术学院!江苏扬州,225002 @毛翔宇$扬州大学物理科学与技术学院!江苏扬州,225002 @卢网平$扬州大学物理科学与技术学院!江苏扬州,225002 @惠荣$扬州大学物理科学与技术学院!江苏扬州,225002 @陆文峰$扬州大学物理科学与技术学院!江苏扬州,225002 @陈小兵$扬州大学物理科学与技术学院!江苏扬州,225002~~~~~~~~     

锂离子电池用正极材料Li(Co0.2-XNi0.8MnX)O2的合成制备研究

研究了一种制备新型锂离子电池正极材料的工艺方法．通过采用溶胶凝胶法(sol-gel法合成了新型电池正极材料Li(Co0．2-XNi0．8MnX)O2。并采用XRD方法分析了材料的相变过程、烧结温度、烧结时间对材料相合成的影响及不Mn／Co比掺杂对材料相变的影响；通过SEM照片可见，Li(Co0．2-XNi0．8MnX)O2粉末元素分布均匀、粒径为1～4微米．为今后进行充放电性能的测试工作做准备．     

助成胶作用和氧化镧掺杂对活性氧化铝热稳定性的影响

研究水溶液成胶制备氧化铝过程中,掺杂氧化镧及利用聚乙二醇助成胶对氧化铝热稳定性和比表面的影响。通过XRD表征手段和TG检测方法来检测氧化铝在不同温度焙烧后的晶相改变和热失重情况,并利用BET检测方法检测不同温度焙烧后的比表面。实验结果表明,氧化镧的掺杂可提高氧化铝的热稳定性,利用聚乙二醇助成胶可有效提高氧化铝的比表面。     

聚苯胺的掺杂及其导电性能研究

利用对甲基苯磺酸（ＴＳＡ）和磺基水杨酸（ＳＳＡ）对聚苯胺（ＰＡｎ）进行了掺杂，研究了在掺杂过程中浓度、温度及时间对聚苯胺电导率的影响，并对掺杂态ＰＡｎ在空气中电导率与温度的关系进行了研究，结果表明ＴＳＡ和ＳＳＡ掺杂的ＰＡｎ在研究的温度范围内电导率均随温度的提高而增加。     

硫化法脱除铜电解废液中As,Sb,Bi的试验

对硫化沉淀法净化铜电解废液进行了条件试验和扩大试验．结果表明，控制适当的条件，采用硫化法能同时将铜电解废液中绝大部分的As，Sb，Bi除去，而对Ni的回收不产生影响．此外，还对硫化渣中的杂质分离方案进行了讨论，从实践的角度证实了硫化法净化铜电解废液的可行性．     

Role of doping and oxygen content in supercon—ductivity of La2CuO4＋δ

ＲｏｌｅｏｆｄｏｐｉｎｇａｎｄｏｘｙｇｅｎｃｏｎｔｅｎｔｉｎｓｕｐｅｒｃｏｎｄｕｃｔｉｖｉｔｙｏｆＬａ_２ＣｕＯ_（４＋δ）￥ＬｉＭｉｎｇ；ＨｕａｎｇＹｕｍｉｎｇ（ＳｃｈｏｏｌｏｆＣｈｅｍｉｓｔｒｙａｎｄＣｈｅｍｉｃａｌＥｎｇｉｎｅｅｒｉｎｇ，Ｓｏｕｔ...