Role of disorder in the conduction mechanism in polyanilines

Abstract

We present the first theoretical calculations of the electronic structure of long (200 rings) linear chains of polyaniline, ranging in composition from leucoemeraldine to emeraldine, allowing for compositional disorder in that the sequence of quinoid-benzenoid groups is random. We show that random protonation of the disordered polymers may induce p-type conductivity: This process pulls the Fermi energy down into the valence band, past localized band tails, to extended states. The effect is only seen if disorder is taken into account.