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Metallo-dithiaporphyrin pigments for bulk-heterojunction solar cell applications: ab initio investigation of structural and optoelectronic properties

Metallo-dithiaporphyrin small molecules have been designed by substituting Ru(ii) with various transition metals at the same oxidation state (M = Mn, Fe, Ni, Cu) as donor materials for Bulk Heterojunction Organic Solar Cells (BHJ-OSCs). Density functional theory (DFT) and time-dependent DFT (TD-DFT)...

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Detalles Bibliográficos
Autores principales:	Yassine Doggui, Mohamed, Oussama Zouaghi, Mohamed, Frapper, Gilles, Guegan, Frédéric, Arfaoui, Youssef
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10658218/ https://www.ncbi.nlm.nih.gov/pubmed/38019991 http://dx.doi.org/10.1039/d3ra05063g

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