Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells
Joint Authors
Liu, Jinglin
Wang, Hongbo
Liu, Qian
Liu, Dejiang
Su, Runzhou
Li, Yuanzuo
Source
International Journal of Photoenergy
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-17, 17 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-08-01
Country of Publication
Egypt
No. of Pages
17
Main Subjects
Abstract EN
Three kinds of anthracene-based organic dyes for dye-sensitized solar cells (DSSCs) were studied, and their structures are based on a push–pull framework with anthracenyl diphenylamine as the donor connected to a carboxyphenyl or carboxyphenyl-bromothiazole (BTZ) as the acceptor via an acetylene bridge.
The photoelectric properties of the three dyes were investigated using density functional theory (DFT).
The simulations indicate that the improvement of anthracene-based dyes (the addition of BTZ and the change of alkyl groups to alkoxy chains) can reduce the energy gap and produce a red shift.
This structural modification also improves the light capturing and the electron injection capability, making it excellent in photoelectric conversion efficiency (PCE).
In addition, twelve molecules have been designed to regulate photovoltaic performance.
American Psychological Association (APA)
Wang, Hongbo& Liu, Qian& Liu, Dejiang& Su, Runzhou& Liu, Jinglin& Li, Yuanzuo. 2018. Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells. International Journal of Photoenergy،Vol. 2018, no. 2018, pp.1-17.
https://search.emarefa.net/detail/BIM-1174164
Modern Language Association (MLA)
Wang, Hongbo…[et al.]. Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells. International Journal of Photoenergy No. 2018 (2018), pp.1-17.
https://search.emarefa.net/detail/BIM-1174164
American Medical Association (AMA)
Wang, Hongbo& Liu, Qian& Liu, Dejiang& Su, Runzhou& Liu, Jinglin& Li, Yuanzuo. Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells. International Journal of Photoenergy. 2018. Vol. 2018, no. 2018, pp.1-17.
https://search.emarefa.net/detail/BIM-1174164
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1174164