Computational investigation of tuning the electron-donating ability in metal-free organic dyes featuring an azobenzene spacer for dye-sensitized solar cells

Md Al Mamunur Rashid, Dini Hayati, Kyungwon Kwak, Jongin Hong

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A series of donor–π-conjugated spacer–acceptor (D–π–A) organic dyes featuring an azobenzene spacer were designed as chromic dyes and investigated computationally. The electron-donating strength was modified by introducing electron-donating units to the donor side. In particular, the trans–cis isomerization of the azobenzene-based dyes and its effect on the optical and electronic properties were further scrutinized. In both trans and cis conformers, a gradual increase in electron-donating strength promoted the natural charge separation between donor and acceptor moieties, thereby allowing the absorption of a longer wavelength of visible light. Importantly, the conformational change of the azobenzene bridge resulted in different absorption spectra and light-harvesting properties. The azobenzene-based dyes will open up a new research path for chromic dye-sensitized solar cells.

Original languageEnglish
Article number119
JournalNanomaterials
Volume9
Issue number1
DOIs
Publication statusPublished - 2019 Jan 1

Keywords

  • A) azobenzene-based dyes
  • Acceptor (D
  • Donor
  • Dye-sensitized solar cell (DSSC)
  • Intramolecular charge transfer
  • Time-dependent density functional theory (TDDFT)
  • π
  • π-conjugated spacer

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)

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