Electronic structure and conduction properties of poly (pyrrylene vinylene) and chemically related polymers

Electrically conducting polymers: from fundamental to applied research

“…Random copolymers, in general, are also found to be less insulating than the corresponding periodic copolymers. The above general conclusions are in agreement with the conclusions drawn from the study of the two types of superlattices: type I (consisting of A = furan and B = thiophene) (Bakhshi 1992c) and type II-staggered (consisting of A = pyrrole and B = vinylene) (Bakhshi and Lovleen 1994).…”

Comparative study of the effect of incorporation of vinylene linkages on the electronic structures of heterocyclic polymers

“…2). Such a feature was also noticed by us for a multicomponent polypetide chain [17] and for a single stranded DNA-B [18] using the ab initio matrix block negative factor counting method and also later on for the copolymers of FU and TP [13] and for pyrrylene-vinylene related systems [9] and is due to the lifting of the degeneracies at the edges of the reduced Brillouin zone of the periodic copolymer chains. A comparison of the DOS curves corresponding to the aperiodic distribution ( Fig.…”

“…It is interesting to compare the above results with those of PPY-related systems [9], where, also, the band gap decreases with the increase in the proportion of vinylene units. This decrease here is the result of an increase in both the IP and EA values which, however, always remain intermediate between those of homopolymers PPY and PA.…”

“…Otto [8] has carried out investigations using the basis of the ab initio Hartree-Fock crystal orbital method the electronic structures of neutral and doped poly(pyrrylene-vinylene), PTPV and chemically related systems. Bakhshi and Lovleen [9] using the simple negative factor-counting method in its tight-binding approximation have investigated the electronic structures and conduction properties of poly(pyrrylene-vinylene) and chemically related polymers.…”