相对论密度泛函法对CN^—在铜和银电极上振动频率的研究

对ＣＮ＾－在铜和银电极上的吸附性质进行了相对论密度泛函簇模型计算。结果表明，电场微扰方法可以描述ＣＮ＾－在铜和银电极上吸附的表面现象，电极势诱导的频率移动被理解为Ｓｔａｒｋ效应所引起。内振动模式Ｍ－ＣＮ和Ｃ－Ｎ的耦合对电位诱导的Ｃ－Ｎ振动频率变化的大小起重要作用，计算所得的由Ｓｔａｒｋ效应所引起Ｃ－Ｎ振动频率变化的斜率和实验结果相符。     

氘－氚聚变等离子体中高能α粒子的诊断

本文对于用电荷交换方法或低杂波涨落的方法测量高能α粒子作了简短的评述，建议用核反应１３Ｃ（α，ｎ）１６Ｏ测量氘－氚聚变等离子体中的高能α粒子，并提出了一种减少杂质污染，增加穿透深度的方法。     

C60量子点与磁性电极的耦合

在磁电子学领域，自旋极化输运与分子器件的结合是一个热门研究方向．最近，来自美国康奈尔大学的Pasupathy等，采用纳米加工技术，将单个C60分子吸附在一对Ni电极之间，构成了“铁磁电极-C60量子点”器件．量子点的Kondo效应和铁磁性交换耦合，原本是相互排斥的，在Pasupathy的实验中，两者被首次结合在一个器件中并加以观察．研究结果表明，如果器件的质量能够保证两种效应之间的竞争得到有效控制，     

C_nP_4~4(n=1～7)团簇结构与能量的密度泛函研究

使用分子图形软件设计出多种CnP-4(n =1～ 7)的结构模型 ,并进行B3LYP密度泛函几何构型优化和振动频率计算 .最稳定的CP-4和C2 P-3 都是平面环状结构 .最稳定的CnP-4(n =3 ,5 ,7)结构在直碳链的一端连接 1个磷原子且另一端是P3 C的四元环的平面结构 .最稳定的CnP-4(n =4,6)结构在直碳链的一端连接 1个磷原子且另一端是P3 的三元环的锄状结构 .直碳链可与平面环的磷原子生成大π键 .大多数构型是由C2 ,C3 ,C4子结构以环状或链状方式组成的 .碳原子与磷原子以交替方式排列的结构数量少、能量高 .     

Defect Structures in 4H-SiC Irradiated with Highly-energetic ^20Ne^4＋ and ^120Xe^26＋ Ions

The study of damage evolution in silicon carbide bombarded with energetic helium ions is important for the use of this material in future fusion reactors. Heavier inert gas atoms like Ne and Xe have similar behavior of diffusion and clustering with helium, and the comparison of damage accumulation behavior between energetic helium and heavier inert gas ions can reveal important aspects of underlying mechanisms. As an extension of our     

无电极电光电场传感器灵敏度提高的研究

从提高灵敏度角度出发,理论上分析了无电极电光电场传感器电极长度与灵敏度和带宽的关系.通过比较不同结构的传输函数,验证平衡检测方式的可行性,最后选取使用平衡检测的三端口结构作为实验器件结构,从而为器件制作的可行性方案从理论上作了验证.     

Effects of Dual-Electrode Biasing on Er in a Toroidal Plasma

Two externally biased electrodes were inserted into the plasma on the KT-5C tokamak to test the effects on modifying the radial electric field Er, other than single biasing. Using various combinations of biasing voltage,the influences of double biasing are compared with the single biasing. It turns out that the effect of dual-biasing is also effective as a single one, but the outer electrode seems to be shielded by the inner one and show less influence. The results clearly show that the radial electric field Er changed by external biasing is intrinsically an effect localized at the edge of the plasma, which is caused by the electrode induced radial current; and dualelectrode biasing using the method similar to the single biasing seems not to be able to increase more distinctly the peaking effect on Er than the single biasing.     

Enhancement of Overall Photovoltaic Efficiency by Changing the Position of the Attaching Group -RSO3- on the Hemicyanine Dye Molecules

A new photoresponsive D-π-A dye, mPS, has been designed and synthesized.Compared to the parent dye PS, IPCE values in the region from 400 nm to 560 nm was greatly improved upon changing the attaching group from the p- position to the o- position of the π-conjugation bridge. A solar cell based on mPS generated a remarkably high overall yield η of 5.4% under irradiation of 80.0 mW cm^-2 white light from a Xe lamp, Compared with PS, the overall yield η increased by 64%.     

二代树状碳硅烷液晶研究Ⅰ.端基含36个丁氧基偶氮苯介晶基元

用发散法合成周边含36个丁氧基偶氮苯介晶基元(M5)端基新的二代树状碳硅烷液晶(D2),并用元素分析,氢谱,激光质谱,红外,紫外,偏光显微镜,DSC和WAXD法表征.D2为向列相,与M5相同,二代树状物相态由介晶基元相态决定.D2液晶态相行为是K85N107I103N69K,其熔点比M5降低27～41℃,清亮点比M5降低17～18℃,液晶态温区比M5加宽10～23℃.二代碳硅烷(D2)与一代碳硅烷(D1)相比熔点增加2～3℃,清亮点降低26～29℃,液晶态温区减少29～31℃.在二代树状物中观察到S=+3/2的高强向错.