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Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFTTDDFT Study
Joint Authors
Lim, Andery
Galappaththi, Kalpana
Petra, Mohammad Iskandar
Ekanayake, Piyasiri
Source
International Journal of Photoenergy
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-08-30
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
Cyanidin is widely considered as a potential natural sensitizer in dye-sensitized solar cells due to its promising electron-donating and electron-accepting abilities and cheap availability.
We consider modifications of cyanidin structure in order to obtain broader UV-Vis absorption and hence to achieve better performance in DSSC.
The modified molecule consists of cyanidin and the benzothiadiazolylbenzoic acid group, where the benzothiadiazolylbenzoic acid group is attached to the cyanidin molecule by replacing one hydroxyl group.
The resulting structure was then computationally simulated by using the Spartan’10 software package.
The molecular geometries, electronic structures, absorption spectra, and electron injections of the newly designed organic sensitizer were investigated in this work through density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations using the Gaussian’09W software package.
Furthermore, TDDFT computational calculations were performed on cyanadin and benzothiadiazolylbenzoic acid separately, as reference.
The computational studies on the new sensitizer have shown a reduced HOMO-LUMO gap; bathochromic and hyperchromic shifts of absorption spectra range up to near-infrared region revealing its enhanced ability to sensitize DSSCs.
American Psychological Association (APA)
Galappaththi, Kalpana& Lim, Andery& Ekanayake, Piyasiri& Petra, Mohammad Iskandar. 2017. Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFTTDDFT Study. International Journal of Photoenergy،Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1168601
Modern Language Association (MLA)
Galappaththi, Kalpana…[et al.]. Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFTTDDFT Study. International Journal of Photoenergy No. 2017 (2017), pp.1-6.
https://search.emarefa.net/detail/BIM-1168601
American Medical Association (AMA)
Galappaththi, Kalpana& Lim, Andery& Ekanayake, Piyasiri& Petra, Mohammad Iskandar. Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFTTDDFT Study. International Journal of Photoenergy. 2017. Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1168601
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1168601