Charge-induced defects in poly-phenylene-vinylene (PPV)

被引：5
|
作者：
Ramos, MMD [1 ]
Almeida, AM [1 ]
机构：
[1] Univ Minho, Dept Phys, P-4700320 Braga, Portugal
来源：
VACUUM | 2001年 / 64卷 / 02期
关键词：
D O I：
10.1016/S0042-207X(01)00380-3
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We use a molecular dynamics method with semi-empirical quantum chemistry at the complete neglect of differential overlap (CNDO) level to study the charge-induced structural relaxation of poly(p-phenylene vinylene) (PPV) backbone, as a result of charge injection in light emitting diodes. Our results suggest that structural relaxation of PPV is accompanied by a local change in the electronic structure of the polymer leading to commonly known defects. The mobility of these defects along the polymer chains of different finite length was estimated from computer experiments. The charge rearrangement among the PPV atoms is also discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：99 / 104
页数：6
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