Electronic structures of polyheterole monomers, oligomers, polymers and their block copolymers

Yuki Narita, Ikuya Hagiri, Norihiko Takahashi, Kyozaburo Takeda

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)4248-4258
Number of pages11
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume43
Issue number7 A
DOIs
Publication statusPublished - 2004 Jul 1

Keywords

  • Band gaps
  • Block copolymer
  • Conducting polymers
  • Electronic structures
  • Heteroles
  • Homo- And heterocatenation

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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