氧缺陷TiO2-B作为可充电锂离子电池负极材料的第一性原理研究

利用对氧缺陷的TiO₂-B材料进行密度泛函理论的计算,阐述了氧空穴对于TiO₂-B材料的电化学性质的影响。计算研究主要聚焦于缺陷材料的锂离子迁移和电子导电性等基本问题。计算结果表明在低锂离子浓度下(x(Li/Ti)≤ 0.25),相比于无缺陷的TiO₂-B,氧缺陷TiO₂-B有着更高的插入电压和更低的b轴方向迁移活化能,意味着锂离子的嵌入也更容易,这对于可充电电池的充电过程是有利的。而在高浓度下(x(Li/Ti) = 1),锂饱和的氧缺陷TiO₂-B相较于无缺陷的TiO₂-B有着较低的插入电压,更有利于锂离子的脱嵌过程,这对于可充电电池的放电过程也是有利的。电子结构计算表明缺陷材料的禁带宽度在1.0-2.0 eV之间,低于无缺陷的材料的3.0 eV。主要态密度贡献者是Ti-Ov-3d,并且随着氧空穴的增加它的强度也变得更强。这就表明氧缺陷TiO₂-B有更好的电子导电性。     

TiO2表面光催化基元过程

在过去的几十年里,得益于二氧化钛(TiO₂)作为光催化剂在光催化分解水、污染物降解方面的潜在应用,人们对TiO₂光催化剂的开发、改良以及TiO₂表面光催化机理的基础研究方面都投入了巨大的精力。因此,在超高真空环境下,利用不同的实验和理论方法,人们对TiO₂表面(特别是金红石TiO₂(110)表面)的热催化和光催化过程进行了大量的研究,以此来获得上述重要反应中的一些机理性的信息。本文中,将从TiO₂的物质结构以及电子结构开始,然后着重介绍TiO₂表面光生电荷(电子和空穴)的传输、捕获以及电子转移动力学方面的进展。在此基础上,总结了甲醇在金红石TiO₂(110)、TiO₂(011)以及锐钛矿TiO₂(101)表面光化学基元反应过程的一些实验结果。这些结果不仅能增进我们对表面光催化基元过程的认识,同时也能激励我们进一步去研究表面光催化基元过程。最后,基于现有光化学实验结果,简短地讨论了我们对光催化反应机理的一点看法,并提出了一个可能的光催化模型,这可以引起人们对光催化反应机理更全面的思考。     

基于WOx/PEDOT:PSS复合空穴传输层的高效稳定平面异质结钙钛矿太阳电池

在基于钙钛矿/富勒烯平面异质结的钙钛矿太阳电池中,PEDOT:PSS是最常使用的空穴传输材料. 但PEDOT:PSS呈酸性,会腐蚀金属氧化物透明电极,使器件的电极界面稳定性欠佳. 本文将高功函的氧化钨（WO_x）插入到PEDOT:PSS和FTO之间,形成WO_x/PEDOT:PSS复合空穴传输层,这样既可以避免PEDOT:PSS与FTO直接接触,提高器件的稳定性,又可以进一步降低电极界面的接触势垒,从而提升器件的性能. 作者研究了复合传输层对透光率、钙钛矿形貌、钙钛矿结晶、光伏性能及器件稳定性的影响. 基于WO_x/PEDOT:PSS复合空穴传输层的电池效率可以达到12.96%,比单纯的PEDOT:PSS的电池效率(10.56%)提升了22.7%,同时器件的稳定性也得到大幅改善.     

Progress in organic spintronics

Recent progress in organic spintronics is given an informative overview, covering spin injection, detection, and trans-port in organic spin valve devices, and the magnetic field effect in organic semiconductors （OSCs）. In particular, we focus on our own recent work in spin injection and the organic magnetic field effect （OMFE）.     

Effect of NaCl doped into Bphen layer on the performance of tandem organic light-emitting diodes

To improve the performance of tandem organic light-emitting diodes （OLEDs）, we study the novel NaCl as n-type dopant in Bphen：NaCl layer. By analyzing their relevant energy levels and cartier transporting characteristics, we discuss the mechanisms of the effective charge generation layer （CGL） of Bphen：NaCl （6 wt%）/MoO3. In addition, we use the Bphen：NaC1 （20 wt%） layer as the electron injection layer （ELL） combining the CGL to further improve the performance of tandem device. For this tandem device, the maximal current efficiency of 9.32 cd/A and the maximal power efficiency of 1.93 lm/W are obtained, which are enhanced approximately by 2.1 and 1.1 times compared with those of the single- emissive-unit device respectively. We attribute this improvement to the increase of electron injection ability by introducing of Bphen：NaCl layer. Moreover, the CGL is almost completely transparent in the visible light region, which is also important to achieve an efficient tandem OLEDs.     

Investigation of strain effect on the hole mobility in GOI tri-gate pFETs including quantum confinement

The strain impact on hole mobility in the GOI tri-gate pFETs is investigated by simulating the strained Ge with quantum confinement from band structure to electro-static distribution as well as the effective mobility. Lattice mismatch strain induced by HfO2 warps and reshapes the valence subbands, and reduces the hole effective masses. The maximum value of hole density is observed near the top comers of the channel. The hole density is decreased by the lattice mismatch strain. The phonon scattering rate is degraded by strain, which results in higher hole mobility.     

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EAST NBI束线综合测试台已研制完成并具备一台兆瓦级离子源测试运行的全套电源设备,包括离子源灯丝电源、弧电源、加速器电源、抑制极电源、偏转磁体电源及缓冲器电源等。介绍了EAST兆瓦级离子源进行起弧放电调试运行的方式,叙述了各套离子源电源系统的设计结构、技术特点及运行控制方式,分析了离子源电源系统稳定可靠运行需要解决的各个难点,给出了EAST束线样机进行高功率及长脉冲束引出测试运行的实验结果。     

Optical Performance of N-Face A1GaN Ultraviolet Light Emitting Diodes

The optical property and injection efficiency of N-face A1GaN based ultraviolet light emitting diodes （UV-LEDs） are studied and compared with Ga-face A1GaN based UV-LEDs. A staircase electron injector is introduced in the N-face AIGaN based UV-LED. The electroluminescence spectra, power-current performance curves, energy band diagrams, carrier concentration and radiative recombination rate are numerically calculated. The results indicate that the N-face UV-LED has a better optical performance than the Ga-face UV-LED, and the injection efficiency is enhanced owing to the fact that the staircase electron injector is available for UV-LEDs.     

使用PTB7作为阳极修饰层提高有机发光二极管的性能

采用poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl][3-?uoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]](PTB7)作为有机发光二极管器件的阳极修饰层,制备了结构为indium tin oxide(ITO)/PTB7(不同浓度)/N,N’-Bis(naphthalen-1-yl)-N,N’-bis(phenyl)benzidine(NPB,40 nm)/8-hydroxyquinoline(Alq3,60 nm)/LiF(1 nm)/Al的系列器件,同时研究了不同浓度的PTB7对器件性能的影响.PTB7的最佳浓度为0.25 mg/mL,器件性能得到明显的改善,起亮电压为4.3 V.当驱动电压为14.6 V时,最大亮度为45800 cd/m2,最大电流效率为9.1 cd/A.与没有PTB7修饰的器件相比,其起亮电压降低了1.9 V,最高亮度提升了78.5%.器件性能提高归因于PTB7的插入使得空穴注入和传输能力大大改善.     

基于符号函数的注入反馈式蔡氏电路同步控制

蔡氏电路的状态变量不易引出,一般的同步控制方法难以硬件电路实现.针对此类含有电感、电容储能元件的混沌电路,提出一种注入反馈式混沌同步电路设计方法,通过引出状态变量,并在状态变量微分量未知的情况下对系统实施混沌控制.利用该方法,对运动行为不同的两个蔡氏系统,实现了基于符号函数的非线性投影同步控制研究,电路实验结果验证了该方法的可行性和有效性.