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...
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.
出处
《化学研究与应用》
CAS
CSCD
1996年第2期227-231,共5页
Chemical Research and Application
关键词
聚噻吩
能带结构
导电性
Band Structure,3-Substitute Polythiophenes, Conductivity
