Poly(para-phenylene) with the end structure of (formula presented) provides nearly zero band gaps in long chains with (formula presented)

Yuriko Aoki, Tomofumi Tada, Yuuichi Orimoto

Research output: Contribution to journalArticlepeer-review

Abstract

It was demonstrated from the molecular orbital theory that (formula presented) in which at least one H atom on the end of poly(para-phenylene) (PPP) is replaced by (formula presented) group of the chain, provides nearly zero band gaps in the long chains with (formula presented) This behavior was explained by the band overlap leading to metallic characteristics from the perspective of the intermolecular interaction between ethylene units in the oligomer.

Original languageEnglish
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number19
DOIs
Publication statusPublished - Jan 1 2002
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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