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...
Збережено в:
| Автори: | , , , , , |
|---|---|
| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
Springer
2025-10-01
|
| Серія: | Discover Chemistry |
| Предмети: | |
| Онлайн доступ: | https://doi.org/10.1007/s44371-025-00352-3 |
| Теги: |
Немає тегів, Будьте першим, хто поставить тег для цього запису!
|