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Density functional theory design of double donor dyes and electron transfer on dye/TiO(2)(101) composite systems for dye-sensitized solar cells
In this work, we designed a series of double donor organic dyes, named ME101–ME106, based on experimentally synthesized dye WD8, and further investigated their electronic structure, the stability of the dye/TiO(2) (101) systems, density of states (DOS) and absorption spectra using density functional...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693801/ https://www.ncbi.nlm.nih.gov/pubmed/35424241 http://dx.doi.org/10.1039/d0ra08815c |