共轭聚合物内非均匀场驱动的超快激子输运的动力学研究

基于激子输运在聚合物给体/富勒烯(或非富勒烯)受体异质结太阳能电池光伏过程中的重要作用,本文结合最新的实验进展,从理论上提出了由非均匀场驱动的超快激子输运机制.动力学模拟采用扩展的一维Su-Schrieffer-Heeger紧束缚模型结合非绝热的量子动力学方法,而非均匀场主要考虑了由受限电荷诱导的非均匀电场和分子排列相关的非均匀构型场.研究发现:非均匀电场和构型场均可驱动激子实现超快输运,其输运速度比由传统的Forster或Dexter机制主导的激子输运可分别提高1和2个数量级.另外,本文重点分析了这两种非均匀场对激子输运的驱动机制,定量计算了它们各自诱导的驱动力.最后,针对影响这两种非均匀场分布的因素(包括受限电荷相对聚合物分子的距离和聚合物分子线性排列的斜率),讨论了它们对激子输运动力学的影响.     

链间耦合对聚合物中双激子态反向极化的影响

从紧束缚模型出发，研究了链间相互作用对双激子态反向极化的影响.结果发现：加链间耦合后，双激子态仍主要局域在一条链中.当简并破缺较小时，反向极化程度随耦合强度的增加大幅提高；当简并破缺较大时，反向极化程度随耦合强度的增加基本不变. 关键词： 反向极化 双激子态 链间耦合     

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.     

Effect of Temperature on Polaron Stability in a One-Dimensional Organic Lattice

Effect of temperature on the polaron stability in a one-dimensional organic lattice is investigated within the Su-Schrieffer-Heeger model. The temperature effect is simulated by introducing random forces to the equation of the lattice motion. It is found that the localized polaron state becomes delocalized even at low temperatures. The time of polaron keeping localized depends on the magnitude of temperatures. By taking into account the thermal effect, we find that the dissociation field is weaker as compared with earlier works.     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子     

Two-step dissociation of a polaron in conjugated polymers

We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schr\"{o}dinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.     

极化子单激发态的反向极化研究

通过对有机高分子中极化子的单激发态进行研究，发现该态在外电场下呈现反向极化特征，极化规律与双激子态类似.在强电场下，反向极化消失，极化子单激发态解离为一个单极化子和一个双极化子态. 关键词： 极化子态 激子态 反向极化     

肺超声伪影的产生机理、检测技术及临床应用*

近年来,肺部超声技术越来越受到人们的关注。肺部超声可以对肺组织以及胸膜进行快速的视觉评估,用来诊断心源性肺水肿、急性呼吸窘迫综合征(ARDS)等肺部疾病。相较于CT、磁共振成像(MRI)而言,超声对人体无辐射危险,且超声技术简单、安全、成本相对较低。而肺超声伪影可以反映出诸多肺部组织病理信息,临床诊断中能观察到的肺部伪影主要包括有A线、B线与Z线。通过这些伪影可以对患者进行生理和病理的诊断,尤其是B线具有非常重要的临床价值。该文就肺部超声伪影的产生机理、定量及半定量检测技术以及肺超声伪影的临床应用进行综述。     

基于突变级数的我国区域技术有效供给发展状况动态评价——模糊奖惩特征的视角

不同时间不同区域技术有效供给发展状况各不相同,对其不同的发展状况进行相应的激励与惩罚。而如何确定激励与惩罚的界限显得尤为重要,考虑被评价对象的奖惩感受,采用模糊化的奖惩界限,从模糊奖惩特征的视角进行研究。首先建立区域技术有效供给发展状况的评价指标体系,基于突变级数法对其进行静态评价,其次以模糊奖惩特征的视角建立区域技术有效供给发展状况的动态评价模型,运用我国2013~2018年30个省区样本进行实证研究,结果表明:静态评价值高的区域受到奖励的幅度大,静态评价值高的区域受到惩罚的幅度大;反映了不同区域技术有效供给的发展状况各不相同,静态评价结果显示差异小,而动态评价结果显示差异较大;静态结果与动态结果比较分析,实行模糊奖惩,做到奖优罚劣,对奖惩的界限模糊化,弥补了清楚的奖惩界限在实际区域经济发展中的局限性,反映了区域技术有效供给发展的灵活性及柔性。     

Antiresonance induced spin-polarized current generation

According to the one-dimensional antiresonance effect (Wang X R, Wang Y and Sun Z Z 2003 Phys. Rev. B 65 193402), we propose a possible spin-polarized current generation device. Our proposed model consists of one chain and an impurity coupling to the chain. The energy level of the impurity can be occupied by an electron with a specific spin, and the electron with such a spin is blocked because of the antiresonance effect. Based on this phenomenon our model can generate the spin-polarized current flowing through the chain due to different polarization rates. On the other hand, the device can also be used to measure the generated spin accumulation. Our model is feasible with today's technology.