高等学校化学学报 ›› 1999, Vol. 20 ›› Issue (9): 1438.

• 论文 • 上一篇    下一篇

溴和碘掺杂高取向反式聚乙炔导电性能各向异性研究

王荣顺, 王存国, 黄宗浩, 王秀军, 苏忠民, 狄英伟   

  1. 东北师范大学化学系, 长春 130024
  • 收稿日期:1998-08-28 出版日期:1999-09-24 发布日期:1999-09-24
  • 通讯作者: 王荣顺,男,64岁,教授,博士生导师.
  • 作者简介:王荣顺,男,64岁,教授,博士生导师.
  • 基金资助:

    国家“九·五计划”攻关项目资助

Anisotropic Electrical Conductivity of Oriented trans-Polyacetylene Doped with Iodine and Bromine

WANG Rong-Shun, WANG Cun-Guo, HUANG Zong-Hao, WANG Xiu-Jun, SU Zhong-Min, DI Ying-Wei   

  1. Department of Chemistry, Northeast Normal University, Changchun 130024, China
  • Received:1998-08-28 Online:1999-09-24 Published:1999-09-24

摘要: 根据固体能带理论,用EHMO/CO方法,计算了高取向反式聚乙炔及溴和碘掺杂态的二维能带结构,讨论了其导电性能的各向异性.研究表明,平行和垂直于分子链方向的电导率之比(σ//上)取决于这两个方向上能隙和带宽的大小掺杂后σ//下降是由于掺杂剂使链间栖合作用增强所致.理论计算与实验结果一致.

关键词: 反式聚乙炔, 掺杂, 各向异性, 二维能带结构

Abstract: According to electron band structures theories, we use EHMO/COprogram package tocalculate two-dimension electron band structures of trans-polyacetylene doped with iodine and bromine and analyse their anisotropies of electrical conductivities.The conductivity ratio of parallel with and perpendicular to molecular chains changes with the energy gap and band width in these two directions.The ratio σ// decrases when plyaceyleng is doped, because the dopants set up a floatin bridge between two neighbour chains,and makd the coupling function of interchains increase.The calculated results are in acco rdandc with those of the experiments

Key words: trans-Polyacetylene, Doping, Anisotropy, Two-dimension energy bend

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