Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies

The electronic absorption spectra, ground-state geometries and electronic structures of symmetric and asymmetric squaraine dyes (SQD1–SQD4) were investigated using density functional theory (DFT) and time-dependent (TD-DFT) density functional theory at the B3LYP/6-311++G** level. The calculated grou...

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Detalles Bibliográficos
Autores principales: El-Shishtawy, Reda M., Elroby, Shaaban A., Asiri, Abdullah M., Müllen, Klaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4848943/
https://www.ncbi.nlm.nih.gov/pubmed/27043556
http://dx.doi.org/10.3390/ijms17040487

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4848943/
https://www.ncbi.nlm.nih.gov/pubmed/27043556
http://dx.doi.org/10.3390/ijms17040487

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