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Dynamical study on charge injection and transport in a metal/polythiophene/metal structure 下载免费PDF全文
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. 相似文献
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Photoexcitation of a neutral soliton will create a polaron and a charged soliton.According to a tight-binding model and a nonadiabatic method,we investigate the dynamical process of these two photogenerated charge carriers in an external electric field.It is found that the polaron and the soliton can pass through each other,which excludes the possibility of carrier recombination that usually occurs in existing organic solar cells.The results indicate a more efficient way to realize the optoelectric conversion by photoexciting polymer materials with soliton defects.On the other hand,it is found that solitons take on greater stability than polarons during collision. 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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基态简并聚合物中极化子对的碰撞研究 总被引:3,自引:3,他引:0
基于紧束缚的Su-Schrieffer-Heeger(SSH)模型,利用非绝热的动力学方法,研究了基态简并聚合物中空穴极化子和电子极化子的碰撞过程.研究发现,弱电场下两个极化子碰撞分开再相遇形成孤子对,中等强度电场下它们碰撞分开后成为两个准粒子,强电场下空穴极化子和电子极化子碰撞后直接解离. 相似文献
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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Schrdinger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 相似文献
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Electronic transport properties of a kind of phenylacetylene compound— (4-mercaptophenyl)-phenylacetylene are calculated by the first-principles method in the framework of density functional theory and the nonequilibrium Green's function formalism. The molecular junction shows an obvious rectifying behaviour at a bias voltage larger than 1.0 V. The rectification effect is attributed to the asymmetry of the interface contacts. Moreover, at a bias voltage larger than 2.0 V, which is not referred to in a relevant experiment [Fang L, Park J Y, Ma H, Jen A K Y and Salmeron M 2007 Langmuir 23 11522], we find a negative differential resistance phenomenon. The negative differential resistance effect may originate from the change of the delocalization degree of the molecular orbitals induced by the bias. 相似文献
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Multiplicity fluctuation and correlation of mesons and baryons in ultra-relativistic heavy-ion collisions at the LHC 下载免费PDF全文
We study the multiplicity fluctuation and correlation of identified mesons and baryons formed at hadronization by the quark combination mechanism in the context of ultra-relativistic heavy-ion collisions. Based on the statistical method of free quark combination, we derive the two-hadron multiplicity correlations, including meson-meson and meson-baryon correlations, and take the effects of quark number fluctuation at hadronization into account by a Taylor expansion method. After including the decay contributions, we calculate the dynamical fluctuation observable ν_(dyn) for Kπ, pπ and Kp pairs and discuss what underlying physics can be obtained by comparing with data from Pb-Pb collisions at sNN~(1/2)=2.76 Te V and simulations from the HIJING and AMPT event generators. 相似文献
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