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

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Title
Computational investigation of tuning the electron-donating ability in metal-free organic dyes featuring an azobenzene spacer for dye-sensitized solar cells
Author(s)
Rashid, Md Al Mamunur; Hayati, Dini; Kyungwon Kwak; Hong Jongin
Publication Date
2019-01
Journal
Nanomaterials, v.9, no.1, pp.119 -
Publisher
MDPI
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. © 2019 by the authors. Licensee MDPI, Basel, Switzerland
URI
https://pr.ibs.re.kr/handle/8788114/5744
ISSN
2079-4991
Appears in Collections:
Center for Molecular Spectroscopy and Dynamics(분자 분광학 및 동력학 연구단) > Journal Papers (저널논문)
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