| Autor: |
Bouzineb Yassir, Fitri Asmae, Touimi Benjelloun Adil, Benzakour Mohammed, Mcharfi Mohammed, Bouachrine Mohammed |
| Jazyk: |
English<br />French |
| Rok vydání: |
2023 |
| Předmět: |
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| Zdroj: |
E3S Web of Conferences, Vol 469, p 00040 (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2267-1242 |
| DOI: |
10.1051/e3sconf/202346900040 |
| Popis: |
In this study, four D-π-A-A molecules, based on pyranylidene as the donor, were developed by modification of the auxiliary acceptor. These molecules were theoretically studied using DFT and TD-DFT methods. The optoelectronic and photovoltaic properties were calculated as HOMO, LUMO, Egap, VOC (the open-circuit photovoltage), λmax (the maximum absorption wavelength), Eex (the vertical excitation energies), f (the oscillator strengths) in order to study the effect of auxiliary acceptor change on the enhancement of light absorption capabilities and increase of intramolecular charge transfer ICT. The findings indicate that the D4 dye performs better than the rest of the dyes as it is characterized by a low energy gap (Egap=1.549 eV) and a maximum wavelength (λmax=758 nm). Therefore, the D4 dye is a good candidate for use as a DSSC sensitizer. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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