Artikel ; Online: Efficient D-π-π-A-Type Dye Sensitizer Based on a Benzothiadiazole Moiety: A Computational Study.
Molecules (Basel, Switzerland)
2023 Band 28, Heft 13
Abstract: The design of highly efficient sensitizers is one of the most significant areas in dye-sensitized solar cell (DSSC) research. We studied a series of benzothiadiazole-based D-π-π-A organic dyes, putting emphasis on the influence of the donor moiety on the ...
Abstract | The design of highly efficient sensitizers is one of the most significant areas in dye-sensitized solar cell (DSSC) research. We studied a series of benzothiadiazole-based D-π-π-A organic dyes, putting emphasis on the influence of the donor moiety on the DSSC's efficiency. Using (linear-response time-dependent) density functional theory ((TD)DFT)) with the CAM-B3LYP functional, different donor groups were characterized in terms of electronic absorption spectra and key photovoltaic parameters. As a reference, a dye was considered that had a benzothiadiazole fragment linked via thiophene rings to a diphenylamine donor and a cyanoacrylic-acid acceptor. The different systems were first studied in terms of individual performance parameters, which eventually aggregated into power conversion efficiency. Only the amino-substituted species showed a modest increase, whereas the dimethylamino case showed a decrease. |
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Mesh-Begriff(e) | Models, Molecular ; Solar Energy ; Thiadiazoles ; Coloring Agents |
Chemische Substanzen | benzo-1,2,3-thiadiazole (273-77-8) ; Thiadiazoles ; Coloring Agents |
Sprache | Englisch |
Erscheinungsdatum | 2023-07-03 |
Erscheinungsland | Switzerland |
Dokumenttyp | Journal Article |
ZDB-ID | 1413402-0 |
ISSN | 1420-3049 ; 1431-5165 ; 1420-3049 |
ISSN (online) | 1420-3049 |
ISSN | 1431-5165 ; 1420-3049 |
DOI | 10.3390/molecules28135185 |
Datenquelle | MEDical Literature Analysis and Retrieval System OnLINE |
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