导电高聚物聚吡啶的电子能带及其结构研究

高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (8): 1113.

导电高聚物聚吡啶的电子能带及其结构研究

张景萍, 王荣顺

东北师范大学化学系, 长春, 130024

收稿日期:1990-01-08 出版日期:1991-08-24 发布日期:1991-08-24
通讯作者: 王荣顺
基金资助:
国家自然科学基金

Structure of the Electronic Energy Bands of the Conducting Polymer PPy and the Structural Study of Ppy

Zhang Jing-ping, Wang Rong-shun

Department of Chemistry, Northeast Normal University, Changchun, 130024

Received:1990-01-08 Online:1991-08-24 Published:1991-08-24

摘要/Abstract

摘要： 聚吡啶(简称PPy)易于进行n-型掺杂并使其电导率大大提高,可用于制作高聚物电池的负极,本文将PPy视为准一维体系,采用EHMO/CO方法计算了新合成的导电高分子材料--聚吡啶4种可能构型的电子能带。

关键词: 导电高聚物, 聚吡啶, 电子能带

Abstract: The electronic energy bands of four kinds of configurations of the conducting polymer PPy were calculated. In the calculation polymers are treated as quasi-one-dimensional systems, and the method of EHMO/CO is used. The results of the energy bands be near the fermi level are given. The structure of PPy by means of the analysis of electronic energy bands was guessed.

Key words: Conducting polymer, Poly(2,5-pyridinediyl), Electronic energy bands

TrendMD:

张景萍, 王荣顺. 导电高聚物聚吡啶的电子能带及其结构研究. 高等学校化学学报, 1991, 12(8): 1113.

Zhang Jing-ping, Wang Rong-shun . Structure of the Electronic Energy Bands of the Conducting Polymer PPy and the Structural Study of Ppy. Chem. J. Chinese Universities, 1991, 12(8): 1113.

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