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无序分子系统在电荷诱导偶极相互作用下的能量的迁移率。

The mobility in disordered molecular systems with energies given by a charge-induced dipoles interaction.

机构信息

Departamento de Física, Universidade Federal do Paraná, 81531-990 Curitiba-PR, Brazil.

出版信息

J Chem Phys. 2010 Dec 7;133(21):214101. doi: 10.1063/1.3512633.

Abstract

We investigate the field dependence of the mobility in a model for a disordered molecular system containing spatial and energetic disorders. In this model we assign an isotropic polarizability to each site and take the site energies to be the site polarization energies, the interaction energy of a charge in the given site with the induced dipoles in the neighboring sites. This model was shown, in a previous publication, to contain short-ranged energetic correlations and we show in this work that this correlation produces a charge mobility proportional to the exponential of the square root of the applied field, the Poole-Frenkel dependence observed in various disordered organic materials, over a significant range of fields. We present an expression for the field dependence of the mobility in terms of the average intersite separation and of the isotropic polarizability of the electronic states, the two model parameters.

摘要

我们研究了在含有空间和能量无序的无序分子系统模型中,迁移率的场依赖性。在这个模型中,我们给每个位置分配一个各向同性的极化率,并将位置能量定义为位置极化能量,即给定位置的电荷与相邻位置的诱导偶极子之间的相互作用能。在之前的一篇论文中,我们已经证明这个模型包含短程的能量相关性,而在这项工作中,我们表明这种相关性产生了一个与施加的电场的平方根呈指数关系的电荷迁移率,这种关系在各种无序有机材料中都观察到了,而且在相当大的电场范围内都适用。我们提出了一个迁移率的场依赖性的表达式,它涉及到平均位置间的分离和电子态的各向同性极化率,这两个模型参数。

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