Electronic Structure of Heterocyclic Ring Chain Polymers

G. Brocks, A.E.M. Tol, Arie Tol

Research output: Contribution to journalArticleAcademicpeer-review

11 Citations (Scopus)

Abstract

The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.
Original languageUndefined
Pages (from-to)516-517
Number of pages2
JournalSynthetic metals
Volume1999
Issue number101
DOIs
Publication statusPublished - 1999

Keywords

  • Polypyrrole and derivatives
  • Polythiophene and derivatives
  • IR-74192
  • Local density approximations
  • METIS-128728
  • Density functional calculations

Cite this