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。
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.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1991年第8期1113-1115,共3页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
聚合物
导电
聚吡啶
电子能带
Conducting polymer, Poly(2,5-pyridinediyl) , Electronic energy bands
