We have theoretically investigated the electronic structures of polyheterole, monomers, oligomers, polymers and their block copolymers. We considered here the poly-homo-heteroles (X) of borole (B), pyrrole (N), phosphole (P), furan (O), thiophene (S), selenophene (Se), and tellurophene (Te). Based on the Hückel approach, we first predicted the electronic structures of those homogeneously catenated heteroles and extracted their electronic characteristics by the Hartree-Fock ab initia method. Then, we studied the electronic structures of those block copolymers having a heterogenous catenation of the BX- or BXB-types.
|ジャーナル||Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers|
|出版ステータス||Published - 2004 7 1|
ASJC Scopus subject areas
- Physics and Astronomy(all)