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聚噻吩与取代聚噻吩的能带结构的计算
引用本文:曹阳 陈良进. 聚噻吩与取代聚噻吩的能带结构的计算[J]. 化学研究与应用, 1996, 8(2): 227-231
作者姓名:曹阳 陈良进
作者单位:苏州大学化学系
摘    要:聚噻吩与取代聚噻吩的能带结构的计算曹阳,陈良进(苏州大学化学系苏州215006)关键词取代,聚噻吩,能带结构,导电性在五元杂环的高聚物中,3-取代聚噻吩已引起了人们广泛的兴趣,已有人对其能带结构和导电性能[1-2]尤其是其温度与导电性能的关系[3-5...

关 键 词:聚噻吩 能带结构 导电性

BAND STRUCTURE CALCULATIONS ON POLYTHIOPHENES AND 3-SUBSTITUTE POLYTHIOPHENES
Cao Yang, Chen Liangjin. BAND STRUCTURE CALCULATIONS ON POLYTHIOPHENES AND 3-SUBSTITUTE POLYTHIOPHENES[J]. Chemical Research and Application, 1996, 8(2): 227-231
Authors:Cao Yang   Chen Liangjin
Abstract:In this paper we report the EHMO crystal orbital band structure calculations on polythiophenes and poly-3-methy-thiophenes. The results indicate that the influence of the alkyl tails on the band structure of polythiophenes is negligible for the changes in their conductivity. Their conductivity changes can be explained by the disordering effects in the tails leading to departure from planarity of polythiophene backbone.
Keywords:Band Structure  3-Substitute Polythiophenes   Conductivity  
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