Using ab initio band structure results of three novel donor acceptor polymers (A)x PCDT, (B)x PMCT
and (C)x PFTh as the input, the electronic structures and conduction properties of their periodic and
aperiodic copolymer (AmBnCk)x have been investigated. The method involves using negative factor
counting method based on Dean’s negative eigenvalue theorem. In this article, the quasi-one-dimensional
Type II staggered copolymers comprising of thiophene units on the basis of the band alignments of the
constituent homopolymers were studied. The trends in their electronic structures and conduction
properties as a function of (i) block sizes (m, n, k) and (ii) arrangement of the blocks (periodic or
aperiodic) in the various copolymer chains are discussed. These trends are important guidelines to the
experimentalists for designing novel electrically conducting polymers with tailor made conduction
properties.
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