ISSN:
1572-8951
Keywords:
Polyimide systems
;
electric conduction
;
electronic structure
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The electronic structures of newly designed polyimide systems (ethenetetracarboxylic 1,2:1′,2′-dianhydride-diaminoethyne (PI-A) and ethenetetracarboxylic 1,1′:2,2′-dianhydride-diaminoethyne(PI-B)) are studied in detail with respect to their optimized geometries on the basis of the one-dimensional tight-binding self-consistent field crystal-orbital method. The computational results have revealed that PI-B shows intriguing properties such as a very small band gap and a wide bandwidth near the frontier level, compared with PI-A and other polyimides. Since PI-B would be a promising candidate for a new electric conducting material, a reaction diagram for this polymer is also proposed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00176801
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