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A quantum mechanical MO study of the effect of doping on the electronic band structure of a benzodiimidazole polymer

✍ Scribed by Kasinath Nayak

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 291 KB
Volume: 24
Category: Article
ISSN: 0014-3057
DOI: 10.1016/0014-3057(88)90197-8

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✦ Synopsis

A~tract--Electronic band structures were investigated for undoped poly(p-phenylene benzodiimidazole) (PDIAB) and also PDIAB doped with the electron acceptors iodine and bromine. The axial band gap of 1.55 eV calculated for the undoped polymer is close to those calculated for the structurally similar model compounds for polymers, benzobisoxazole and benzobisthiazole. The band structures are well illustrated by the superposition of the bands for the undoped polymer chain and as well as the polymer chain in the presence of dopant based upon the assumption of the rigid band model (RBM). The band structures of the iodine-and bromine-doped PDIAB polymers indicate strong polymer-dopant interactions, and the lowering of the Fermi level indicates semiconducting characteristics to some extent.

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