THE INFLUENCE OF DIFFERENT SUBSTITUENT ON POLYMER SELF-DOPING CONDUCTIVE PROPERTY

Authors
WANG RS WANG LM FU YJ SU ZM
Citation
Rs. Wang et al., THE INFLUENCE OF DIFFERENT SUBSTITUENT ON POLYMER SELF-DOPING CONDUCTIVE PROPERTY, Synthetic metals, 69(1-3), 1995, pp. 713-714
Citations number
4
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Metallurigical Engineering
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
69
Issue
1-3
Year of publication
1995
Pages
713 - 714
Database
ISI
SICI code
0379-6779(1995)69:1-3<713:TIODSO>2.0.ZU;2-Z
Abstract
The self-doping process of high conductive polymer depends mainly upon the existence of substituent. Therefore by using quantum chemistry MN DO method taking methyl, methyl carboxyl group and methyl sulphonic gr oup as an example, we carry out geometric optimizing to the structures of substituted polypyrrole and polythiophene. Their energy bands and charge distribution are calculated by using EHMACC/CO program, and the influence of different substituent on their conductivity and charge d istribution is studied.