Electronic structure of statistical and block poly(p-phenylene)-polyacetylene copolymers

C. Quattrocchi, D. A. dos Santos, Jean-Luc Bredas*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

We investigate theoretically the electronic structure of statistical and block copolymers of poly(p-phenylene) (PPP) and polyacetylene (PA); the calculations are performed using the negative factor counting (NFC) technique coupled to the valence effective Hamiltonian (VEH) method. As a consequence of the energy gap difference in the parent polymers, the bandgaps of PPP-PA copolymers can be tuned over the whole visible range depending on the relative concentrations and distributions of PA and PPP segments. An interesting result is the formation of spatially localized frontier orbitals within the PA moieties when these segments cluster (block copolymers).

Original languageEnglish (US)
Pages (from-to)187-189
Number of pages3
JournalSynthetic Metals
Volume74
Issue number2
DOIs
StatePublished - Sep 15 1995

Keywords

  • Copolymers
  • Electronic structure
  • Polacetylene
  • Poly(p-phenylene)

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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