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...

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Detalles Bibliográficos
Autores principales: Lin, Chundan, Liu, Yanbing, Shao, Di, Wang, Guochen, Xu, Huiying, Shao, Changjin, Zhang, Wansong, Yang, Zhenqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
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

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