ELECTRONIC-STRUCTURE OF POLYIMINOVINYLENE AS A TRACTABLE MODEL FOR POLYANILINE

被引：29

作者：

TANAKA, K

SHICHIRI, T

KOBASHI, M

YAMABE, T

机构：

[1] KYOTO UNIV,GRAD SCH ENGN,DIV MOLEC ENGN,SAKYO KU,KYOTO 606,JAPAN

[2] KYOTO UNIV,CTR DATA PROC,KYOTO 606,JAPAN

来源：

SYNTHETIC METALS | 1988年 / 24卷 / 03期

关键词：

BAND STRUCTURE - CRYSTALS - Electron States - PLASTICS - Electric Conductivity;

D O I：

10.1016/0379-6779(88)90255-X

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structures of polyiminovinylene (PIV) as well as polyaniline (PAn) are studied theoretically using the one-dimensional tight-binding self consistent field-crystal orbital (SCF-CO) method. PIV was employed as a tractable model for PAn to inspect the electronic process when the redox states of PAn are changed. The conduction mechanism caused by partial protonation (oxidation) is discussed and the possibility of the formation of bipolaron in the partially protonated polymer skeleton is examined.

引用

页码：167 / 178

页数：12

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