非线性囚禁离子模型中振幅平方压缩效应

本文从非线性Jaynes-Cummings模型出发,研究了受驻波场驱动的离子的质心运动振幅平方压缩效应.结果表明,非线性参数η对压缩效应有明显的影响.随着参数η的增大,离子处于压缩态的时间增长,压缩程度加深,但当η越过某一临界值时,离子最大压缩量减小,压缩时间相对变短;另外,驻波场的相位也对压缩效应有明显的影响.     

密度泛函理论研究草甘膦在纯的, 金属原子掺杂石墨烯表面的吸附机理

本研究采用密度泛函理论方法详细讨论了纯的石墨烯及Ti, Fe, Al, Ca原子掺杂石墨烯吸附草甘膦的机理.通过它们之间的吸附能,差分电荷密度,布居电荷,态密度分析发现草甘膦可以被纯的石墨烯及金属原子掺杂石墨烯不同程度地吸附.纯的石墨烯对草甘膦的吸附作用远不及掺杂石墨烯,其中,草甘膦在Ca掺杂石墨烯表面有最强相互作用.这是因为草甘膦与纯的石墨烯之间主要形成了-P=O…π,-COOH…π和-OH…π非共价的相互作用,而与掺杂石墨烯之间主要形成了Metal-O“单齿”和O-Metal-O“双齿”共价相互作用.本研究结果希冀为石墨烯在环境保护方面的应用提供有价值的理论指导.     

La掺杂和空位对ZnS磁性和光学性能影响的第一性原理研究

利用密度泛函理论框架下的平面波超软赝势法,通过第一性原理对La掺杂与Zn空位(V_(Zn))及La掺杂与S空位(V_S)共存的ZnS体系的电子结构、磁性机理、形成能及吸收光谱进行了研究.结果表明, La掺杂与空位(V_(Zn)或V_S)的空间位置最近时,掺杂体系的形成能最低,体系最稳定.另外,La掺杂与Zn空位共存时,体系具有磁性,且体系的净磁矩与La原子与Zn空位的相对位置有关;La掺杂与S空位共存时,掺杂体系无磁性,但此时体系的禁带宽度最窄且吸收光谱红移最显著.     

Cohen–Macaulayness of monomial ideals and symbolic powers of Stanley–Reisner ideals

We present criteria for the Cohen–Macaulayness of a monomial ideal in terms of its primary decomposition. These criteria allow us to use tools of graph theory and of linear programming to study the Cohen–Macaulayness of monomial ideals which are intersections of prime ideal powers. We can characterize the Cohen–Macaulayness of the second symbolic power or of all symbolic powers of a Stanley–Reisner ideal in terms of the simplicial complex. These characterizations show that the simplicial complex must be very compact if some symbolic power is Cohen–Macaulay. In particular, all symbolic powers are Cohen–Macaulay if and only if the simplicial complex is a matroid complex. We also prove that the Cohen–Macaulayness can pass from a symbolic power to another symbolic powers in different ways.     

高效钙钛矿-有机本体异质结杂化串联太阳能电池

制备了一种有机铅卤钙钛矿-有机本体异质结杂化串联太阳能电池。采用紫外可见吸收光谱、原子力显微镜对薄膜形貌进行了表征。结果表明:有机本体异质结层可以有效改善钙钛矿的表面形貌, 增强了可见光的吸收。优化后的串联结构电池的短路电流可达19.14mA/cm², 开路电压为0.76V, 光电转换效率达到了6.54%。钙钛矿电池和有机本体异质结电池串联结构可以同时提高短路电流及填充因子, 二者具有较好的相容性和协同作用。     

Theoretical study of the optical gain characteristics of a Ge1-xSnx alloy for a short-wave infrared laser

Optical gain characteristics of Ge_(1_x)Snμx are simulated systematically.With an injection carrier concentration of 5×10~(18)/cm~3 at room temperature,the maximal optical gain of Ge_(0.922)Sn_(0.078) alloy(with n-type doping concentration being 5×10~(18)/cm~3) reaches 500 cm~(-1).Moreover,considering the free-carrier absorption effect,we find that there is an optimal injection carrier density to achieve a maximal net optical gain.A double heterostructure Ge_(0.554)Si_(0.289)Sn_(0.157)/Ge_(0.922)Sn_(0.078)/Ge_(0.554)Si_(0.289)Sn_(0.157) short-wave infrared laser diode is designed to achieve a high injection efficiency and low threshold current density.The simulation values of the device threshold current density J_(th)are 6.47 kA/cm~2(temperature:200 K,and λ=2050 nm),10.75 kA/cm~2(temperature:200 K,and λ=2000 nm),and23.12 kA/cm~2(temperature:300 K,and λ=2100 nm),respectively.The results indicate the possibility to obtain a Si-based short-wave infrared Ge_(1-x)Sn_x laser.     

聚丙烯腈基碳纤维原丝在纺丝过程中纳米孔变化规律与机理研究

应用小角X射线散射等方法, 系统、定量地测试表征了聚丙烯腈基碳纤维原丝中纳米孔的尺寸、形状、体积分数、单位体积中纳米孔绝对数量以及纤维总孔洞率等形态结构参量, 并对这些参量在水洗、水洗牵伸、热致密化、高压蒸汽牵伸及热稳定化等工艺过程中的变化规律及原因进行了研究. 结果表明, 纺丝过程中牵伸及高温热处理均可使纤维总孔洞率逐步下降. 纳米孔尺寸体积分数V_i测试表明, 对于小于10 nm³的小纳米孔和大于10³ nm³的较大纳米孔, 两者的V_i在纺丝初期水洗牵伸工艺中分别为0.217和0.369, 而在纺丝后期热稳定化处理后发生大幅度改变, 分别为0.948 与0.015. 其原因并不是在高压蒸汽牵伸及热稳定处理中较小纳米孔含量的增加, 而是较大纳米孔含量的大幅度减少. 纳米孔形状研究表明, 纺丝工艺中的多次牵伸处理均使纳米孔的长短轴比加大, 而大于玻璃化温度的热处理均使纳米孔长短轴比收缩, 并且对于较小纳米孔来说这种收缩更为显著.     

糠醇辅助的聚合凝胶法制备纳米Li4Ti5O12负极材料

以硝酸锂、钛酸正丁酯和糠醇为反应物,采用糠醇聚合凝胶法制备了纳米Li₄Ti₅O₁₂粉体．利用XRD、SEM和BET比表面测试对产物进行了表征,并研究了纳米Li₄Ti₅O₁₂粉体作为锂离子电池负极材料的电化学性能．在700℃或更高温度烧结时产物为纯相的尖晶石型．通过柠檬酸、聚乙烯吡咯烷酮、十六烷基三甲基溴化铵(CTAB)表面活性剂的加入能够减少产物颗粒的团聚程度,增大粉体的比表面积,提高其电化学性能．加入0.5 g CTAB、700℃烧结12 h的Li₄Ti₅O₁₂粉体展示出最高的比容量和最佳的循环性能,10 C下充电比容量高达156.7 mAh/g．     

A facile strategy to synthesize bimetallic Au/Ag nanocomposite film by layer-by-layer assembly technique

A facile strategy has been developed for the preparation of bimetallic gold–silver (Au–Ag) nanocomposite films by alternating absorption of poly-(ethyleneimine)–silver ions and Au onto substrates and subsequent reduction of the silver ions. The composition, micro-structure and properties of the {PEI–Ag/Au}_n nanocomposite films were characterized by ultraviolet visible spectroscopy (UV–vis), transmisson electron microscopy (TEM), field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), surface enhanced Raman scattering (SERS) and cyclic voltammetry (CV). The UV–vis characteristic absorbances of {PEI–Ag/Au}_n nanocomposite thin film increase almost linear with the number of bilayers, which indicates a process of uniform assembling. Appearance of a double plasmon bands in the visible region and the lack of apparent core–shell structures in the TEM images confirm the formation of bimetallic Au–Ag nanoparticles. The result of XPS also demonstrates the existence of Ag and Au nanoparticles in the nanocomposite films. TEM and FESEM images show that these Ag and Au nanoparticles in the films possess sphere structure with the size of 20–25 nm. The resulting {PEI–Ag/Au}_n films inherit the properties from both the metal Ag and Au, which exhibits a unique performance in SERS and electrocatalytic activities to the oxidation of dopamine. As a result, the {PEI–Ag/Au}_n films are more attractive compared to {PEI–Ag/PSS}_n and {PEI/Au}_n films.