硫/水热碳球复合材料的制备及对锂硫电池倍率性能的影响

在锂硫电池正极材料的研究中,碳材料可以有效改善电池倍率及循环性能.为了提高锂硫电池的高倍率放电性能,通过水热合成的方法,制备了由非均匀粒径碳球组成的碳材料.与硫热合成后,硫均匀分布在碳材料表面及周围,复合材料含硫量为52wt%.0.2C放电电流下,首次放电比容量为1174mAh·g^-1,100次循环后放电比容量为788mAh·g^-1.在4C的放电电流下,放电比容量稳定维持在600mAh·g^-1,循环过程中,库伦效率高于90%.该碳材料有良好的导电网络,且制备方便,成本低廉,对于穿梭效应和放电过程中的膨胀效应有一定的抑制作用,是一种优秀的正极材料.     

Pb-Mg-Al合金腐蚀机理的电子理论研究

为了了解Pb-Mg-Al合金腐蚀的物理本质, 本文采用基于第一性原理的赝势平面波方法系统地计算了Pb-Mg-Al合金中各物相的结合能、费米能级和局域态密度等电子结构参数, 分析了合金的电化学腐蚀机理. 计算结果表明：Pb-Mg-Al合金中各主要组成物相稳定性大小关系为 Mg₁₇Al₁₂>Mg₂Pb>Mg;Mg,Mg₂Pb和Mg₁₇Al₁₂的费米能级存在E_f(Mg)>E_f(Mg₂Pb)>E_f(Mg₁₇Al₁₂)的关系, 说明Mg最容易失去电子, Mg₂Pb次之, Mg₁₇Al₁₂最难;局域态密度表明, 在同样的外界条件下, 体系中Mg相和Mg₂Pb相对于Mg₁₇Al₁₂均处于不稳定的状态, 容易失去电子, 即容易发生腐蚀. Pb-Mg-Al合金体系中不同物相的费米能级差构成了电化学腐蚀的电动势, 导致电子从费米能级高的Mg相和Mg₂Pb相流向费米能级低的Mg₁₇Al₁₂相, 使Pb-Mg-Al合金发生腐蚀.     

F离子注入新型Al0．25Ga0．75N／GaNHEMT器件耐压分析

为了缓解AlGaN／GaNhighelectronmobilitytransistors（HEMT）器件n型GaN缓冲层高的泄漏电流,本文提出了具有氟离子注入新型Al0．25Ga0．75N／GaNHEMT器件新结构．首先分析得出n型GaN缓冲层没有受主型陷阱时,器件输出特性为欧姆特性,这样就从理论和仿真方面解释了文献生长GaN缓冲层掺杂Fe,Mg等离子的原因．利用器件输出特性分别分析了栅边缘有和没有低掺杂漏极时,氟离子分别注入源区、栅极区域和漏区的情况,得出当氟离子注入源区时,形成的受主型陷阱能有效俘获源极发射的电子而减小GaN缓冲层的泄漏电流,击穿电压达到262v通过减小GaN缓冲层体泄漏电流,提高器件击穿电压,设计具有一定输出功率新型A1GaN／GaNHEMT提供了科学依据．     

Breakdown voltage analysis of Al0.25Ga0.75N/GaN high electron mobility transistors with partial silicon doping in the AlGaN layer

In this paper,two-dimensional electron gas（2DEG） regions in AlGaN/GaN high electron mobility transistors（HEMTs） are realized by doping partial silicon into the AlGaN layer for the first time.A new electric field peak is introduced along the interface between the AlGaN and GaN buffer by the electric field modulation effect due to partial silicon positive charge.The high electric field near the gate for the complete silicon doping structure is effectively decreased,which makes the surface electric field uniform.The high electric field peak near the drain results from the potential difference between the surface and the depletion regions.Simulated breakdown curves that are the same as the test results are obtained for the first time by introducing an acceptor-like trap into the N-type GaN buffer.The proposed structure with partial silicon doping is better than the structure with complete silicon doping and conventional structures with the electric field plate near the drain.The breakdown voltage is improved from 296 V for the conventional structure to 400 V for the proposed one resulting from the uniform surface electric field.     

Breakdown voltage analysis of Al_0.25Ga_0.75N/GaN high electron mobility transistors with partial silicon doping in the AlGaN layer

In this paper,two-dimensional electron gas(2DEG) regions in AlGaN/GaN high electron mobility transistors(HEMTs) are realized by doping partial silicon into the AlGaN layer for the first time.A new electric field peak is introduced along the interface between the AlGaN and GaN buffer by the electric field modulation effect due to partial silicon positive charge.The high electric field near the gate for the complete silicon doping structure is effectively decreased,which makes the surface electric field uniform.The high electric field peak near the drain results from the potential difference between the surface and the depletion regions.Simulated breakdown curves that are the same as the test results are obtained for the first time by introducing an acceptor-like trap into the N-type GaN buffer.The proposed structure with partial silicon doping is better than the structure with complete silicon doping and conventional structures with the electric field plate near the drain.The breakdown voltage is improved from 296 V for the conventional structure to 400 V for the proposed one resulting from the uniform surface electric field.     

乙烷族卤代烃的微扰软链状态方程

本文将微扰软链理论应用于乙烷族卤代烃状态方程的研究,该方程包含三个物性参数,表征分子非球形度的参数c、Lennard-Jones软球直径σ和表征能量的参数ε/k。本文拟合得到了12种乙烷族卤代烃类物质的方程参数。与NIST软件计算结果比较表明,该方程对单相区和两相区的pvT性质均有较好的再现性。本文还发现该类物质的方程参数与分子结构之间存在某种规律性关系。     

新型混合工质共沸点的判定与预测

随着新型混合工质的不断提出,建立准确判定和预测混合工质共沸点的方法具有重要价值.本文在分析共沸点形成条件的基础上,针对多种含氢氟烃混合体系,使用气液相平衡预测模型建立了共沸点计算方法,判断了多种混合体系是否共沸,对于共沸体系预测了其共沸点,并与相关文献值进行了比较,结果表明本文方法具有广泛的适用性和良好的预测精度.     

基于氟代苯乙胺有机阳离子的准二维钙钛矿发光二极管EI北大核心CSCD

近年来,钙钛矿发光二极管(PeLEDs)发展非常迅速,其性能得到了大幅提升,而构筑具有量子阱结构的准二维钙钛矿是开发高性能PeLEDs的有效方法之一。大尺寸有机阳离子是构成准二维钙钛矿的关键组分,对调节准二维钙钛矿的薄膜结构和光电性质具有重要作用。本文通过在铯铅卤化物(CsPb X3)钙钛矿中引入两种单氟取代的溴化苯乙胺(o-FPEABr(邻位取代)和p-FPEABr(对位取代)),采用无反溶剂的一步法制备了准二维钙钛矿薄膜和发光器件,研究了它们对准二维钙钛矿成相分布和器件性能的影响。研究发现,pFPEABr使准二维钙钛矿形成了大量的低维相,特别是具有强激子-声子耦合的二维相,而高维相含量较少。相反地,o-FPEABr能够有效地抑制低维相,并促进高维相的形成,有利于降低非辐射复合和提高辐射复合。形成能计算结果显示,基于p-FPEABr的低维相比基于o-FPEABr的低维相具有更好的热力学稳定性,导致了准二维钙钛矿中成相分布的差异,表明改变氟原子的取代位置能够调控准二维钙钛矿的结晶动力学过程,进而影响器件的发光性能。基于o-FPEABr,我们制备出高效的绿光和蓝光PeLEDs。其中绿光器件的最大外量子效率(EQE)达到了10.27%,发光峰位于521 nm;而蓝光器件的最大EQE也达到了8.88%,发光峰位于488 nm。     

桁架结构的拓扑优化设计

本文提出了一种杆系结构的拓扑优化设计方法。在本方法中,通过求解一个给出位移场的线性规划确定出结构的新的拓扑形式;将m个位移约束与n个应力约束等效为n个独立的应力约束;接着,利用专家系统技术对所得到的具有新拓扑的结构进行机动性分析並提供修改方案。几个数值实例说明了本方法的可行性。     

Optical Conductivity of Anisotropic Quantum Dots in Magnetic Fields

Optical conductivity of anisotropic double-parabolic quantum dots is investigated with the memory-function approach, and the analytic expression for the optical conductivity is derived. With characteristic parameters pertaining to GaAs, the numerical results are presented. It is shown that: (1) the larger the optical phonon frequency wLO, the stronger the peak intensity of the optical conductivity, and the more asymmetric the shape of the optical conductivity; (2) the magnetic field enhances the optical conductivity for levels l=0 and l=1,with or without electron-LO-phonon interactions; (3) the larger the quantum dot thickness lz, the smaller the optical conductivity σ(w).