| 溴和碘掺杂高取向反式聚乙炔导电性能各向异性研究 |
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| 引用本文： | 王荣顺,王存国,黄宗浩,王秀军,苏忠民,狄英伟. 溴和碘掺杂高取向反式聚乙炔导电性能各向异性研究[J]. 高等学校化学学报, 1999, 20(9): 1438-1441 |
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| 作者姓名： | 王荣顺 王存国 黄宗浩 王秀军 苏忠民 狄英伟 |
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| 作者单位： | 东北师范大学化学系, 长春 130024 |
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| 基金项目： | 国家“九·五计划”攻关项目资助 |
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| 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///σ⊥上)取决于这两个方向上能隙和带宽的大小掺杂后σ///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.
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| 关 键 词： | 反式聚乙炔 掺杂 各向异性 二维能带结构 |
| 收稿时间： | 1998-08-28 |
Anisotropic Electrical Conductivity of Oriented trans-Polyacetylene Doped with Iodine and Bromine |
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| WANG Rong-shun,WANG Cun-guo,HUANG Zong-hao,WANG Xiu-jun,SU Zhong-Min,DI Ying-Wei. Anisotropic Electrical Conductivity of Oriented trans-Polyacetylene Doped with Iodine and Bromine[J]. Chemical Research In Chinese Universities, 1999, 20(9): 1438-1441 |
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| Authors: | WANG Rong-shun WANG Cun-guo HUANG Zong-hao WANG Xiu-jun SU Zhong-Min DI Ying-Wei |
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| Affiliation: | Department of Chemistry, Northeast Normal University, Changchun 130024, China |
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| 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///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 |
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| Keywords: | trans-Polyacetylene Doping Anisotropy Two-dimension energy bend |
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