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• W2005306514 abstract "Relativistic TDDFT calculations have been performed employing a novel computational approach to evaluate the impact of spin-orbit coupling (SOC) in the optical and photovoltaic properties of panchromatic Ru(II) dyes for dye-sensitized solar cells (DSCs). The employed computational setup accurately reproduces the optical properties of the investigated dyes, allowing an assessment of the factors responsible for the varying SOC with the dye metal-ligand environment. While for the prototypical panchromatic black dye sensitizer a negligible SOC effect is found, the SOC-induced spectral broadening calculated for the recently reported DX1 dye partly enhances the light-harvesting efficiency and consequently the photocurrent generation in DSCs based on this dye." @default.
• W2005306514 created "2016-06-24" @default.
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• W2005306514 date "2014-01-06" @default.
• W2005306514 modified "2023-09-23" @default.
• W2005306514 title "Impact of Spin–Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells" @default.
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• W2005306514 doi "https://doi.org/10.1021/jz402544r" @default.
• W2005306514 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26270714" @default.
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