DFT study of benzothiadiazole based small molecules for high efficiency organic photovoltaics
Abstract This study employs density functional theory (DFT) and time-dependent DFT (TD-DFT) to design and evaluate eight novel non-fullerene acceptors (NFAs) (G1–G8) for organic solar cells (OSCs). The molecules were engineered through strategic terminal group modification of a reference indacenodit...
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| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Portfolio
2026-01-01
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| coleção: | Scientific Reports |
| Assuntos: | |
| Acesso em linha: | https://doi.org/10.1038/s41598-026-35432-6 |
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