聚合物PPV、PDMPV自掺杂导电性研究

Study on Electric Conductivity of Polymer PPV and PDMPV

报道用带有晶体轨道的ＥＨＭＯ量子化学计算程序对ＰＰＶ及其取代物ＰＤＭＰＶ本征态、双极化子进行了理论计算，合理地解释了由于ＣＨ３Ｏ－自掺杂导致ＰＤＭＰＶ特殊电性能这一实验事实。同时利用电离势、分子电荷图对两种聚合物导电性能的差异性作了讨论。

In this paper, the unique electric conductivity of poly (p-phenylene vinglene) and poly, (2,5-dimethoxy-phenylene vinglene) has been studied by EHMO quantum caculation method. The results can be used to properly interprete the difference in electric conductivity between PPV and PDMPV.