氢原子径向距离r~ν平均值的计算

利用氢原子径向波函数和拉盖尔多项式的性质,导出了计算氢原子径向距离r的任意整数次的平均值公式．     

Preparation and characterization of three-dimen-sionally ordered macroporous polystyrene via atom-transfer radical polymerization

Three-dimensionally ordered macroporous polystyrene(3DOM PS) with pore size of 350 nm was fabricated using Cp2Co/Ethyl 2-bromoisobutyrate(EBiB) catalytic system by ATRP.The resulting polymers were detected by FT-IR,1H-NMR,SEM,and GPC.The microstructure of 3DOM PS was confirmed by FT-IR and 1H-NMR.SEM micrographs show that both silica spheres within the templates and pores in the 3DOM polystyrene are arranged in highly ordered fashion,and the shrinkage of the pores in the 3DOM PS is 24%.GPC curves show that the 3DOM PS possesses slightly lower Mn and narrow MWD compared with bulk one.This result indicats that living polymerization is different from non-living polymerizationin in the confined space.     

Fe-Ni合金中相能量的修正嵌入原子法计算

运用修正岩入原子法（MEAM）系统地研究了Fe-Ni合金中，面心立方和体心立方两种结构的有序和无序相能量，在用MEAM计算无序的相能量时，引入原子占据某一阵点的几率与成分的等同关系，计算结果表明，α（bcc)和γ（fcc)两种无序相在347℃时平衡原子分数分别为8．6％Ni和31．5％Ni，与相图基本符合，基于3种有序相的能量计算，可预期FeNi3最稳定，FeNi次之，而Fe3Ni最不稳定，这与文献报道的实验结果相符。     

Logistic曲线拟合与预测在我国旅游市场中的应用

讨论了外加驱动场和原子介质自发辐射量子相干来调控固定腔中四能级原子介质的古斯-汉欣位移.研究表明,原子介质的自发辐射量子相干对古斯-汉欣位移的影响较大,在具有一定强度的自发辐射量子相干时,外加驱动场的强度和失谐对透射光和反射光的古斯-汉欣位移调控最为明显,可以实现大的古斯-汉欣位移.     

Nanostructured LiMn2O4 and their composites as high-performance cathodes for lithium-ion batteries

Improvement of the energy density and power density of the lithium-ion batteries is urgently required with the rapid development of electric vehicles and portable electronic devices. The spinel LiMn2O4 is one of the most promising cathode materials due to its low cost, nontoxicity, and improved safety compared with commercial LiCoO2. Developing nanostructured electrode materials represents one of the most attractive strategies to dramatically enhance battery performance, such as capacity, rate capability and cycling life. Currently, extensive efforts have been devoted to developing nanostructured LiMn2O4 and LiMn2O4/carbon nanocomposites to further improve the rate capability of lithium-ion batteries for high-power applications. In this paper, recent progress in developing nanostructured LiMn2O4 and LiMn2O4/carbon nanocomposites is reviewed, and the benefits to the electrochemical performance of LiMn2O4-based cathodes by using these electrode materials are also discussed.     

Electroch emical properties and interfacial reactions of LiNi0.5Mn1.5O4-δ nanorods

LiNi0.5Mn1.5O4-δ which possesses a high voltage of 4.7 V vs.Li+/Li and stable structure has been considered as a promising cathode material for high energy Li-ion batteries.In this study,well-crystalli...     

原子与耦合腔相互作用系统中光场的量子特性

研究了耦合腔A和B中各囚禁一个二能级原子的情况,给出了总激发数为2时系统态矢的演化。采用数值计算方法研究了腔场的反聚束效应和亚泊松分布等量子特性的演化规律。讨论了原子的选择性测量和腔场间的耦合强度变化对腔场量子特性的影响。研究结果表明:腔场的反聚束效应和亚泊松分布随腔场间耦合系数变化存在非线性关系。另一方面,采用选择原子测量方法可增强腔场A的亚泊松分布的性质。     

自动脱挂索货运索道小车研究

索道运输作为输电线路中一种新的运输方式,具有成本低、施工方便,不受气候影响等诸多优点,已经在输电线路施工中广泛应用。但货运索道小车需依靠人力进行脱挂索,研究并实现货运索道小车的自动脱挂索是货运索道自动化运行的关键。通过对传统的行走小车结构进行优化设计,融合锂电式冲击扳手和红外感应技术、以单片机为直流电机控制器,对货运索道小车进行改进。实验证明,优化后的自动脱挂索小车能够稳定地应用于环境变化的复杂野外工作场所。     

单原子Co修饰TiO2(101)面的结构和析氢性能的第一性原理研究

通过基于密度泛函理论（DFT）+U的第一性原理方法研究了单原子Co在TiO₂（101）面的掺杂位置和方式、几何结构和整体能量以及掺杂后产物的制氢反应机制，得到了稳定且易出现的单原子修饰结构，即单原子Co吸附在4个O组成的表面空隙的中心位，记为Co/TiO₂（101）。进一步对Co/TiO₂（101）的析氢反应过程和性能进行研究，确定了当且仅当TiO₂（101）面完成表面羟基化反应后，H原子全覆盖的TiO₂（101）表面才能进行后续的析氢反应；此时单原子Co是唯一的反应位点，整体的制氢反应自由能ΔG_H*比Co（111）面更加趋近于0，显示出其具有远优于金属Co的催化性能。此外，Co和TiO₂间的电荷转移和相互作用使TiO₂带隙出现新的掺杂能级，可带来作为光催化基材的TiO₂光吸收性能的改善。     

氢原子的概率密度分布

利用数值计算方法绘制出氢原子的径向概率、角向概率分布、等概率曲线图和等概率曲面图，从而将氢原子的概率密度空间分布展示出来。