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DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS)

A series of six coumarin based dye derivatives were investigated and their geometry and optoelectronic properties elucidated for suitability in dye-sensitized solar cells (DSSCs) using TD-DFT/B3LYP with 6-31G basis set. D-π-A schemes were developed by attaching various donors and acceptors to coumar...

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Detalles Bibliográficos
Autores principales:	Vuai, Said A.H., Khalfan, Mwanahadia Salum, Babu, Numbury Surendra
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8593435/ https://www.ncbi.nlm.nih.gov/pubmed/34816038 http://dx.doi.org/10.1016/j.heliyon.2021.e08339

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