共查询到18条相似文献,搜索用时 156 毫秒
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介绍了近年来有关外电场对高分子中极化子激子影响的研究工作。它们包括:研究方法,外电场注入的或光激发引起的电子和穴穴会在高分子中形成极化子激子,弱或中等强度电场使极化子激子极化,强电场解离极化子激子,发现高分子中极化子双激子具有反向极化新性质,探讨反向极化这个新的物理现象的物理起因、意义及可能的应用。 相似文献
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邱宇 《原子与分子物理学报》2018,35(6):921-924
有机共轭高分子被光激发后,其电子结构会发生明显的变化,通过非绝热数值计算的方法模拟了受光激发后有机高分子中激子生成的动力学过程.结果表明,激子的生成一般需要数十飞秒时间,激子的生成周期随分子链长度的增大而增大.高激发态激子可以根据生成周期分为两类,第一类激子的生成周期在数十到上百飞秒之间,第二类激子的生成周期可达上千飞秒.对于超过200个碳原子的高分子,第二类激子的生成周期可达5000飞秒以上.这个计算结果说明,相比于有机高分子,有机小分子中更容易观测到激子. 相似文献
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高分子的一维特性使电子激发产生显著的自陷(self-trapping)效应,两个单激子(exciton)会复合形成双激子(biexciton),这是形成双激子的重要通道,其效率高于双光子过程.这种复合过程伴随着晶格畸变,需要了解其演变过程并确定其弛豫时间.本文利用动力学方程研究了激子-激子复合的弛豫过程,确定了它的弛豫时间为160fs,同时还研究了外电场E对复合过程的影响,结果表明,当E大于0.5MV/cm时,两个单激子不能复合成双激子,而是解离成正负双极化子.
关键词: 相似文献
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邱宇 《原子与分子物理学报》2022,39(6):061006-46
通过对耦合共轭高分子双链中激子生成的动力学研究,讨论了受到光激发后,激子在分子内或分子间生成的制约因素.激子的生成除了受分子链间耦合强度的制约,还受到光激发模式的影响.结果表明,激子既可以在分子内生成,也可以在耦合分子间生成.增大分子之间的相互作用强度,可以增大在分子之间生成激子的概率. 相似文献
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聚(2-甲氧基-5-(2’-乙基己氧基)-1,4-对苯乙炔)(MEH-PPV)在溶液中的链构象依赖于溶剂的性质,共轭聚合物的发光特性受链构象影响明显。在稀溶液中,不良溶剂含量的增加使MEH-PPV分子链更加紧缩卷曲,单个分子链内更多共轭链段发生聚集,光激发形成的链间激子增加。通过对MEH-PPV稀溶液的光谱分析,发现链间激子的形成过程依赖于激发光的能量(hv)。在激发光能量大于聚合物的最低激发能(E4)的情况下,大部分链内激子通过辐射复合发光,少部分链内激子沿分子链转移到聚集的共轭链段上形成链间激子。在hv<Ea的情况下,单个分子链内聚集共轭链段吸收光子能量形成链问激子并复合发光。 相似文献
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从扩展的Ginder Epstein(GE)模型出发,计入静电场,数值模拟了有限长开链聚对苯亚胺(pernigrani line base)中的激子态。计算表明,当场强为零时,激子是自陷(self trapped)束缚的极化子激子;随着电场强度的增加,缺陷将沿电场方向发生移动(无论正反向施以电场);而当E≥3 6×104V/cm时,激子被静电场解离,形成正、负极化子而束缚在链端。本文关于零电场和强电场时的激子行为与李蕾,傅柔励等人关于m LPPP等电致发光材料的结果十分相似,但在弱电场时,并未出现预料中的极化,疑与本文引用的模型有关。 相似文献
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By using a multi-configurational time-dependent Hartree–Fock(MCTDHF) method for the time-dependent Schr ?dinger equation and a Newtonian equation of motion for lattice, we investigate the disorder effects on the dissociation process of excitons in conjugated polymer chains. The simulations are performed within the framework of an extended version of the Su–Schrieffer–Heeger model modified to include on-site disorder, off-diagonal, electron–electron interaction, and an external electric field. Our results show that Coulomb correlation effects play an important role in determining the exciton dissociation process. The electric field required to dissociate an exciton can practically impossibly occur in a pure polymer chain, especially in the case of triplet exciton. However, when the on-site disorder effects are taken into account, this leads to a reduction in mean dissociation electric fields. As the disorder strength increases, the dissociation field decreases effectively. On the contrary, the effects of off-diagonal disorder are negative in most cases. Moreover, the dependence of exciton dissociation on the conjugated length is also discussed. 相似文献
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Y. Meng Z. An 《The European Physical Journal B - Condensed Matter and Complex Systems》2010,74(3):313-317
Within an extended Su-Schrieffer-Heeger model including interchain interactions and the extended Hubbard model (EHM), the dynamical relaxation of photoexcitations in the presence of an external electric field is investigated using a nonadiabatic evolution method. Under the action of the interchain interactions both intrachain excitons and interchain excitons are generated after photoexcitation in two coupled polymer chains. Our results show that the field required to dissociate the excitons depends sensitively on the strength of the interchain coupling. As the interchain coupling strength increases, the dissociation field decreases. By analyzing the relation between the yield of intrachain and interchain excitons and the interchain coupling strength, we explain the dependence between the dissociation field and the strength of the interchain interactions. The theoretical results are expected to provide useful predictions concerning which polymers with properly strong interchain interactions are likely to be most suitable for use in organic solar cells. 相似文献
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邱宇 《原子与分子物理学报》2024,41(2):021008-66
通过绝热动力学方法,研究了共轭高聚物双分子结构中激子对外加电场的响应.当外电场强度超过某个临界值时,激子会被解离成一对自由的电子与空穴.对于双分子结构中的激子,其临界解离电场除了受电子与电子相互作用以及电声相互作用影响之外,还受分子间相互作用的影响.由动力学演化的计算得到,激子临界解离电场强度随分子间相互作用强度的增大而呈非线性降低;随电子与电子相互作用强度的增大呈非线性减小的变化;但是,随电声耦合强度的增大却呈现出线性增大的变化. 相似文献
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基于Su-Schrieffer-Heeger(SSH)模型并考虑到Brazovskii-Kirova对称破缺项,研究了共轭聚合物中注入极化子和激子在外电场下的散射过程.研究发现在外场作用下极化子总是能通过激子,而激子的运动行为则密切依赖于电场的强度.如果电场大于临界电场3.0×10~5V/cm,那么激子与极化子散射后并不发生任何运动;然而当电场小于此临界值时,激子将在极化子运动的相反方向上有一个明显的位移.激子在弱电场下所发生的这种迁移运动,是由于同极化子发生了慢散射作用. 相似文献
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We determine the efficiencies for the formation of excitons and charge carriers following ultrafast photoexcitation of a semiconducting polymer (MEH-PPV). The simultaneous, quantitative determination of exciton and charge photoyields is achieved through subpicosecond studies of both the real and the imaginary components of the complex conductivity over a wide frequency range. Predominantly excitons, with near-unity quantum efficiency, are generated on excitation, while only a very small fraction (<10(-2)) of free charges are initially excited, consistent with rapid ( approximately 100 fs) hot exciton dissociation. These initial charges are very short lived, decaying on subpicosecond time scales. 相似文献
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基于扩展的一维SSH紧束缚模型结合非绝热的分子动力学方法,理论研究了共轭聚合物分子(PPV)在光脉冲作用下受激吸收和受激辐射的量子动力学过程.首先,设定分子初始处于基态,讨论了受激吸收过程中不同的电子受激跃迁模式与光激发脉冲的关系.通过对终态的分析,发现分子受激后只能产生电子-空穴的束缚态,包括:激子、双激子和高能激子.计算了各种激发态的产率,特别是,给出了各种激发态产率与光激发能量的定量关系.此外,基于实验,分别讨论了光激发强度对高能激子和双激子产率的影响,并与实验结果进行了比较.最后,设定分子初始分别处于激子和双激子态,研究了分子内定域能级之间的受激辐射过程,并简单讨论了激子和双激子受激辐射与光激发能量及强度的关系. 相似文献
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采用紧束缚的Su-Schrieffer-Heeger模型,利用非绝热动力学方法研究了载流子在金属/聚对苯乙炔(poly(p-phenylene vinylene,简记为PPV))/金属三明治结构中注入与输运的动力学过程.发现由于强的电子-晶格相互作用,注入的电荷在PPV链中形成波包,波包的形成与施加在金属电极上的偏压、PPV链上的电场强度及金属电极与PPV之间的界面耦合强度密切相关.在无外电场的情况下,当偏压达到临界值时电荷能够从金属电极注入到PPV链中并形成波包.随着电场强度的增大,波包能
关键词:
金属/聚对苯乙炔/金属结构
载流子输运
波包 相似文献
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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. 相似文献