Monte Carlo simulation of charge transport in electrically doped organic solids

Monte Carlo simulation of charge transport in electrically doped organic solids
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电掺杂有机固体中电荷传输的蒙特卡罗模拟

DOI:
10.1088/0022-3727/42/3/035103
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发表时间:
2009-02
影响因子:
3.4
通讯作者:
Wu, C. Q.
Wu, C. Q.
中科院分区:
物理与天体物理3区
文献类型:
--
作者:
Ding, X. M.;Hou, X. Y.;Gao, X. D.;Zhou, J.;Zhou, Y. C.;Wu, C. Q.

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提出了一种用蒙特卡罗模拟方法研究电掺杂有机固体中电荷输运的模型。该模型包含了宿主分子和掺杂分子之间所有可能的电子转移的有限速率。研究发现,对于高效掺杂材料,电导率随掺杂浓度的增加先呈亚线性增长,后呈超线性增长。电掺杂薄膜的电导率也依赖于掺杂剂-主体的能级偏移:当掺杂剂的电离在能量上有利时,电导率很高,但随着掺杂剂电离的能量势垒的增加,电导率呈指数下降。
A model to study the charge transport in electrically doped organic solids via Monte Carlo simulation is proposed. The model includes the finite rate of all possible electron transfers between host and dopant molecules. It is found that for efficiently doped materials, the conductivity increases with dopant concentration, first sublinearly and then superlinearly. The conductivity of electrically doped films is also dependent on the dopant–host energy-level offset: it is high when the ionization of dopants is energetically favourable, but decreases exponentially with increasing energy barrier for dopants to ionize.
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DOI: 10.1103/physrevb.75.153201
发表时间: 2007-04
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