Designing Type-II staggered model ternary copolymers using ant algorithm

Abstract

Ant algorithm has been applied in combination with the simple negative factor counting (NFC) method and the inverse iteration method (IIM) to the designing of Type-II staggered model ternary copolymers. Two types of copolymers have been studied, one in which the band widths of the homopolymers were identical and their band-gaps were different and vice versa. On the basis of the optimized results obtained in both the cases it has been found that (i) the band-gap of the copolymer is closest to that of the lowest band-gap component and (ii) the component having the lowest ionization potential has the maximum amount in the optimum solution. Further, the optimized results are found to be nearly independent of the seed used. The density of states has also been investigated for all the copolymers. The results obtained are expected to be important guidelines for molecular designing of copolymers with tailor-made conduction properties.