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 language | English |
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Article number | 119 |
Journal | Nanomaterials |
Volume | 9 |
Issue number | 1 |
DOIs | |
Publication status | Published - 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)