Quinoid-aromatic competition as a tool for band structure design for conjugated polymers

P. Surján, Károly Németh

Research output: Contribution to journalArticle

Abstract

Simple band structure calculations are performed to determine the energy gaps of some conjugated polymers containing phenyl and thiophene rings. It is studied how different chemical changes in the unit cells affect the conjugation in the backbone, pushing aromatic forms towards quinoid ones or vice versa. New polymers with a gap of cca. 0.5 eV are predicted. The good correlation observed between structural and electronic parameters indicate that the primary factor determining the gap of such systems is conjugation.

Original languageEnglish
Pages (from-to)4260-4265
Number of pages6
JournalSynthetic Metals
Volume57
Issue number2-3
DOIs
Publication statusPublished - Apr 19 1993

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Thiophenes
Conjugated polymers
Thiophene
conjugation
Band structure
Polymers
Energy gap
pushing
polymers
thiophenes
rings
cells
electronics

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Quinoid-aromatic competition as a tool for band structure design for conjugated polymers. / Surján, P.; Németh, Károly.

In: Synthetic Metals, Vol. 57, No. 2-3, 19.04.1993, p. 4260-4265.

Research output: Contribution to journalArticle

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