COMPUTATION OF THE ELECTRONIC-STRUCTURE AND CONDUCTION PROPERTIES OF POLY(PYRROLE-ISONAPHTHOPYRROLE) QUASI-ONE-DIMENSIONAL SUPERLATTICES

The electronic spectra of various quasi-one-dimensional compositional superlattices (copolymers) (A(m)B(n))(x) of polypyrrole (PPY) and poly isonaphthopyrrole (PINPY) belonging to the class of Type I superlattic es have been calculated in the tight-binding approximation using a dir ect numerical approach. The trends in their electronic structure and c onduction properties as a function of (i) composition (m/n), (ii) bloc k sizes m and n and (iii) arrangement of the blocks in the copolymer c hain are discussed. The results obtained are important guidelines for designing copolymers with tailor-made conduction properties.