Computational design of phenoxazine and phenothiazine dye sensitizers with improved charge separation for application in DSSCs: a DFT study
Abstract This study utilizes DFT and TD-DFT calculations at the B3LYP/6-31G(d,p) level to design and evaluate eight metal-free organic dye sensitizers for DSSCs, comprising phenoxazine (POD1–POD4) and phenothiazine (PZD1–PZD4) donor groups, thiophene-based π-spacers, and 2-cyanoacrylic acid as the a...
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| Huvudupphov: | , , , , , |
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| Materialtyp: | Artigo |
| Språk: | Inglês |
| Utgiven: |
Springer
2025-10-01
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| Serie: | Discover Chemistry |
| Ämnen: | |
| Länkar: | https://doi.org/10.1007/s44371-025-00352-3 |
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