金属/掺杂聚合物/金属结构中载流子的注入与输运

基于紧束缚的Su-Schrieffer-Heeger模型,利用非绝热的动力学方法,研究了金属/聚合物/金属三明治结构中载流子注入与输运的动力学过程,其中,聚合物中含有一个掺杂离子. 电子波函数随时间的演化满足含时Schrdinger方程,晶格运动满足经典的牛顿运动方程. 研究发现,掺杂离子对注入到聚合物中的载流子的作用类似一个控制阀门,阀门的状态与电场的强度和偏压的大小密切相关. 关键词： 载流子输运 波包 非绝热动力学     

金属/掺杂聚合物/金属结构中载流子的注入与输运

基于紧束缚的Su-Schrieffer-Heeger模型，利用非绝热的动力学方法，研究了金属/聚合物/金属三明治结构中载流子注入与输运的动力学过程，其中，聚合物中含有一个掺杂离子. 电子波函数随时间的演化满足含时Schrdinger方程，晶格运动满足经典的牛顿运动方程. 研究发现，掺杂离子对注入到聚合物中的载流子的作用类似一个控制阀门，阀门的状态与电场的强度和偏压的大小密切相关.     

塞曼效应对正常金属/超导/正常金属双隧道结中的相干隧穿电导的影响

在超导中通过外加塞曼磁场,研究正常金属/超导/正常金属双隧道结中的量子相干输运。同时考虑从一个正常金属电极注入一电子,从另一个正常金属电极注入一空穴,推导出系统的微分电导的一般公式。研究表明,电导谱随偏压展示振荡行为,随着温度和磁场的增大,其振荡振幅被降低,且塞曼能可导致电导峰的塞曼劈裂。在隧道极限下,超导体中会形成一系列束缚态。     

Fermi-Pasta-Ulam β 格点链系统能量载流子研究

Fermi-Pasta-Ulam (FPU) β格点链中能量输运的载流子是孤子还是声子一直存在较多的争议. 本文通过单脉冲方法, 明确了一个能量波包在该格点链系统中从声子波包转变成为孤子波包的条件, 即波包能量达到一定阈值. 基于纯四次势链的声子真空效应, 构造了由FPU-β链与纯四次势链构成的双段链系统. 通过对比研究双段链系统和单段FPU-β链中的热流, 发现低温下声子是FPU-β链中能量的主要载流子, 而随着温度的升高孤子逐步取代声子成为能量的主要载流子. 关键词： Fermi-Pasta-Ulam格点链 声子 孤子 热传导     

侧链结构对PPV/C_(60)组合体系的激发传递和电荷转移过程的影响

本文考察不同的侧链长度对聚对苯乙炔 (PPV)衍生物的光学性质等的影响 ,以及PPV/C60 的组合薄膜中的激发传递和电荷转移过程。结果表明随着连接在PPV的侧链长度的增长 ,其π π 跃迁带隙变窄 ,使得吸收和发射峰的位置逐渐红移 ;同时观测到PPV/C60 间存在着极有效的激发传递过程 ,从而使得PPV衍生物的荧光在很大程度上被C60 分子所猝灭 ;MD PPV/C60 组合膜中观测到了C-60 的吸收峰 ,这表明该体系存在着基态电荷转移过程 ,同时也表明PPV衍生物与C60 分子间的相互作用和PPV的侧链长短密切相关。     

碱基对组分、电极位能及界面耦合对DNA分子I-V特性的影响

在紧束缚近似下,利用传输矩阵方法,计算研究了碱基对组分、金属电极位能及DNA分子与电极耦合强度对DNA分子I-V特征的影响.计算结果表明:由单一碱基对构成的DNA分子的饱和电流强度远大于由两种碱基对按一定组分随机分布的DNA分子的饱和电流强度,且当DNA分子中两种碱基对的含量相等时,其饱和电流强度最小.同时,富含C-G碱基对的DNA分子比富含A-T碱基对的DNA分子的电子输运能力大.金属电极位能对DNA分子电子输运的影响体现在两方面,当偏压较小时,电极位能具有阻碍电荷注入的效果,当偏压较大时     

InGaAs/GaAs量子链的光学特性研究

研究了InGaAs/GaAs量子链的稳态和瞬态光谱特性,特别是载流子的动力学过程.实验发现荧光寿命有很强的探测能量依赖关系,荧光寿命随发光能量的增加而减小;实验还发现,当激发功率较小时,荧光寿命随激发功率增大而增大,当激发功率足够大时,荧光寿命趋于饱和.这些结果清楚地表明,在量子链结构中,参与发光的载流子之间存在明显的耦合和输运现象,进一步分析表明,这种输运主要是由于载流子沿量子链方向的耦合造成的.发光的偏振特性研究进一步证实了载流子沿量子链方向输运过程. 关键词： InGaAs/GaAs 量子点 量子链     

基于1,2-二氰基苯/聚合物复合材料的高耐久性有机阻变存储器

本文报道了一种基于1,2-二氰基苯(O-DCB)与聚(3-己基噻吩)(P3HT)复合薄膜的高耐久性有机阻变存储器(ORSM).ORSM表现出非易失型和双极性存储特性,电流开关比(I_on/off)超过10⁴,耐久性高达400次,保持时间为10⁵s,V_set和V_reset分别为-6.9 V和2.6 V.器件的阻变机理是陷阱电荷的俘获与去俘获,即负偏压或正偏压诱导电荷陷阱的填充和抽离过程,导致电荷传输方式的改变,从而产生高低电阻间的切换.器件的高耐久性一方面是由于O-DCB较小的分子尺寸和较好的溶解性形成了均匀分布且稳定的电荷陷阱,另一方面是由于O-DCB较好的分子平面促进了其与P3HT共轭链的相互作用.该研究为高耐久性ORSM的实现提供了一种有效途径,加快了ORSM的商业化应用进程.     

二维链间扩展的极化子动力学研究

基于扩展的SSH模型,研究了有序耦合聚合物链系统中的极化子动力学,包括极化子的形成过程及其在外场下的输运.发现,当聚合物链间的耦合较强时,注入到系统中的电子会诱发二维链间扩展的极化子态,分布在多条聚合物链上.另外,动力学模拟表明,与一维链内定域极化子相比,在相同的电场强度下二维极化子具有更大的运动速度,这与实验结果一致. 关键词： 链间扩展极化子 链间耦合     

迁移率对单层有机发光器件中电场与载流子分布的影响

有机发光器件的宏观特性与有机层中的电场和载流子浓度分布密切相关。建立的有机电致发光器件模型是由两个金属电极中间夹一层有机发光薄膜材料组成的单层器件,金属与有机发光层之间为欧姆接触。模型以载流子运动的扩散-漂移理论为基础,利用数值方法研究了有机发光层中双极载流子注入时的电势、电场、载流子浓度和复合密度分布。分析结果表明:当两种载流子的迁移率相同时,电场强度、载流子浓度、复合密度的分布呈对称形式。而当电子和空穴的迁移率μn和μp相差比较大时,高迁移率的载流子不仅仅分布在注入端附近而且还有一小部分能够传输到另一端,而低迁移率的载流子只分布在其注入端附近;当μn、μp的大小相差不大时,载流子传输情况就介于两者之间。当μn/μp的比值变化时,电场强度的极大值向载流子迁移率小的注入端偏移。     

Dynamical study on charge injection and transport in a metal/polythiophene/metal structure

The dynamical process of charge injection from metal electrode to a nondegenerate polymer in a metal/polythiophene （PT）/metal structure has been investigated by using a nonadiabatic dynamic approach. It is found that the injected charges form wave packets due to the strong electron-lattice interaction in PT. We demonstrate that the dynamical formation of the wave packet sensitively depends on the strength of applied voltage, the electric field, and the contact between PT and electrode. At a strength of the electric field more than 3.0 × 10^4 V/cm, the carriers can be ejected from the PT into the right electrode. At an electric field more than 3.0 × 10^5 V/cm, the wave packet cannot form while it moves rapidly to the right PT/metal interface. It is shown that the ejected quantity of charge is noninteger.     

Injection and transport of electric charge in a metal/copolymer structure

The dynamical processes of the electric charge injection and transport from a metal electrode to the copolymer are investigated by using a nonadiabatic dynamic approach. The simulations are performed within the framework of an extended version of the one-dimensional Su-Schrieffer-Heeger (SSH) tight-binding model. It is found that the electric charge can be injected into the copolymer by increasing the applied voltage. For different structures of the copolymer, the critical voltage biases are different and the motion of the injected electric charge in the copolymer varies obviously. For the copolymer with a barrier-well-barrier configuration, the injected electric charge forms a wave packet due to the strong electron-lattice interaction in the barrier, then comes into the well and will be confined in it under a weak electric field. Under a medium electric field, the electric charge can go across the interface of two homopolymers and enter into the other potential barrier. For the copolymer with a well-barrier-well configuration, only under strong enough electric field can the electric charge transfer from the potential well into the barrier and ultimately reach a dynamic balance.     

Formation dynamics of bipolaron in a metal/polymer/metal structure

Charge injection process from metal electrode to a nondegenerate polymer in a metal/ polymer/ metal structure has been investigated by using a nonadiabatic dynamic method. We demonstrate that the dynamical formation of a bipolaron sensitively depends on the strength of applied electric field, the work function of metal electrode, and the contact between the polymer and the electrode. For a given bias applied to one of the electrode (V₀) and coupling between the electrode and the polymer (t^′), such as V₀=0.79 eV and t^′=1 eV, the charge injection process depending on the electric field can be divided into the following three cases: (1) in the absence of the electric field, only one electron tunnels into the polymer to form a polaron near the middle of the polymer chain; (2) at low electric fields, two electrons transfer into the polymer chain to form a bipolaron; (3) at higher electric fields, bipolaron can not be formed in the polymer chain, electrons are transferred from the left electrode to right electrode through the polymer one by one accompanying with small irregular lattice deformations.     

ITO/有机半导体/金属结构OLED器件的数值模拟

基于稳态的小信号漂移扩散方程,建立了有电极的单层有机电致发光(OLED)器件的数值模型,编制的MATLAB程序,首先模拟了文献中的OLED器件电极附近正电荷层(面电荷)对器件J-V的影响,得到了和文献中一致的结果. 模拟了ITO/PPV/Ca结构的OLED器件,模拟时,考虑了OLED阳极附近存在正体电荷,得到的J-V曲线和文献中的实验结果一致,体电荷产生了势垒,影响了电流曲线. 关键词： 有机电致发光 数值模拟 漂移扩散模型     

Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

Using the tight-binding Su--Schrieffer--Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport.     

被吸入电容器的金属片振动过程的功能关系

电中性的金属片被电容器所带电荷吸入其中而发生振动.这里讨论的问题:有或无阻尼时金属片的振动规律;电场力使金属片加速或减速运动过程中的功能转换;金属片振动过程中保持电容器的电量或电压不变,储能的变化;金属片的每一振动周期电源供给电容器的能量;电容器的电压、电量等参数的周期性变化.     

Improved fictitious charge method for calculations of electric potential and field generated by point-to-plane electrodes

In the framework of standard tip-to-plane electrode geometry favorable to corona streamer discharge development at atmospheric pressure, this work is devoted to the improvement of fictitious charge method for calculations of electric potential and field repartition when the tip is powered by a DC voltage. It is in fact dedicated to implement the image charge method (generally used in plane-to-plane electrodes) in the case of a point-to-plane geometry. The numerical method is based on the solution an open system of n equations with m unknowns (n >> m) where m is the number of fictitious charges and n the number of contours at the surface of the tip electrode defining the boundary conditions. This numerical technique can accurately interpolate the shape of the electrode tip whatever its geometry and hence allows us to accurately calculate the electric potential and field even at a position very close to the electrode. It is noteworthy that the solution of such open system of equations cannot be obtained from conventional techniques (Cramer, Gauss, matrix inversion, etc.). We used the method of least squares which enables us to close the equation systems and to find the optimal solution fulfilling all the required boundary conditions. The present method is therefore based on the coupling between the conventional method of fictitious charges using image charge method and the optimization by the Least Squares Method. The results of simulation show that the punctual fictitious charges have given the most accurate results when the electrode has symmetry of revolution like the present geometry of a pen shape anode cylinder ended by a sharp tip set in front of cathode plane.     

H-在金属面附近光剥离的波包动力学研究

利用波包演化和自关联函数方法对H^-在金属面附近光剥离的波包动力学进行了研究.结果表明,金属面附近光剥离电子的波包演化和回归结构与H^-到金属面的距离、激光脉冲的脉冲宽度和初始动量都有一定的关系.因此,可以通过改变离子表面距离和激光脉冲的参数对光剥离电子的动力学性质进行调控研究.除此之外,光剥离电子的镜像态寿命对波包的演化和自关联函数也会产生一定的影响:考虑镜像态寿命的影响时,随着时间的演化,波包概率密度的振幅逐渐减小,波包整体上有明显的衰减,寿命对波包演化过程中的干涉有削弱的作用;通过对电子波包的自关联函数研究,发现无限长寿命的电子波包有很好的量子回归现象,而当考虑寿命因素后光剥离电子波包随着时间的演化会发生周期性的坍塌和扩散,经过一段时间后,该回归现象消失.本文的理论研究可以为表面附近电子波包动力学的实验研究提供一定的参考价值. 关键词： 波包 演化和回归 自关联函数 金属面     

Spontaneous current and DC bias induced current in nickel–metal hydride secondary battery

The responses to biasing a nickel–metal hydride secondary battery with a dc pulse train, as well as to spontaneous discharging, are studied. A comparison is made between the current during biasing, i _e, and the current during off-biasing, i _g. It is suggested that both currents arise from the motion of the same charge carriers in the electrolyte, possibly the OH⁻ ions. The only difference is that the motive force for i _e is a bias voltage, while the motive force for i _g is an open-circuit voltage of the battery. It is suggested that battery action proceeds by a single electrochemical reaction. In the course of discharging, the current drops abruptly by the formation of a resistive layer, possibly by depletion of the OH⁻ ions in the vicinity of the positive electrode.