PPV.PDMPV及PNPV微观结构与导电性的对比研究

Comparative Studies on the Microstucture and Conductlue Benavior of PPV PDMPV and PNPV

本文利用量子化学AMI方法和EHMO／CO方法对导电高分子材料PPV［Poly（p－phenylenevinylene）〕，PDMPV［Poly（2，5—dimethloxy－p－phenylenevinylene）］及PNPV（Poly（2一nitro－p—phenylenevinylene）］的本征态及掺杂态的分子结构参数与能带结构进行了系统的计算，进而讨论了这些高分子本征态及掺杂态的微观结构与导电性之变化规律。

in this paper, the molecular structure parameter and bandstructure of eigenstateand dopingstate of the conductive polymer matarials PPV, PDMPV and PNPV. was calculated byquantum chemistry AMl method and EHMO/CO method. We also discussed the change regulationof the microstructure and conductive behaviour about the eignstate and the dopingstate of thesepolyners.