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|Title:||On the electronic structures and conduction properties of quasi-one-dimensional copolymers (type-II staggered) of donor-acceptor polymers|
Bakhshi, A K
|Abstract:||Using ab-initio band structure results of two novel donor-acceptor polymers PPDCH [A]x and PPDCN [B]x as the input, the electronic structures and conduction properties of their various periodic and aperiodic copolymers (AmBn)x have been investigated using negative factor counting method based on Dean's negative eigen value theorem. These polymers consist of a bicyclopentadienylene unit bridged by an electron accepting group Y (where Y=>C=CH2 in PPDCH and>C=C(CN)2 in PPDCN) as the repeat unit. The copolymers, on the basis of the band alignments of the two constituent homopolymers, are found to belong to the class of type-II staggered superlattices. The trends in their electronic structures and conduction properties as a function of (i) composition (m/n), (ii) block sizes m and n and (iii) arrangement of the blocks (periodic or aperiodic) in the various copolymer chains are discussed. The trends are important guidelines for designing novel electrically conducting copolymers.|
|Appears in Collections:||IJC-A Vol.42A(07) [July 2003]|
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