Molecular dynamics simulation of an exciton in polyaniline

被引：3
|
作者：
Liu, Jie [1 ]
Zhang, Yong
Sun, Shujuan
Tang, Jinlong
机构：
[1] Sichuan Normal Univ, Inst Solid State Phys, Coll Elect Engn, Chengdu 610068, Peoples R China
[2] Univ Elect Sci & Technol China, Isnt Microelect & Solid State Elect, Chengdu 610054, Peoples R China
来源：
SYNTHETIC METALS | 2007年 / 157卷 / 2-3期
关键词：
molecular dynamics; electron correlation; exciton; polymer;
D O I：
10.1016/j.synthmet.2007.01.004
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Adding a weak electron correlation to the extended Ginder-Epstein model for polyaniline, we carried out an adiabatic dynamics simulation for formation of an exciton in a pernigraniline-base polymer, an oxidized form of polyaniline. The results showed: the formation time was similar to 50 fs; the correlation speeded up the exciton formation and shortened the exciton radius. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：134 / 137
页数：4
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