Applied Biochemistry and Biotechnology, Vol.96, No.1-3, 135-143, 2001
Theoretical study of electronic structures and conduction properties of copolymers based on poly(cyclopentadienylene)
Various quasi-one-dimensional superlattices (copolymers) (A(m)B(n))(x) of two novel donor-acceptor polymers PPDCF ([A](x)) and PPDCN ([B](x)) based on poly(cyclopentadienylene) (PPD) and belonging to the class of type Il staggered superlattices were investigated using a negative factor counting method in the tight-binding approximation. Both PPDCF and PPDCN consist of a bicyclopentadienylene unit bridged by an electron-accepting group >C=CF2 in PPDCF and >C=C(CN)(2) in PPDCN. The trends in the electronic structures and conduction properties of the copolymers (A(m)B(n))(x) as a function of the block sizes in and n, arrangement of the units (periodic or random) in the copolymer chain, and length of the copolymer chain are discussed.
Keywords:conducting polymers;electronic structure;conduction properties;superlattice;designing of polymers;band gap