Theoretical Investigation on Photophysical Properties of Triphenylamine and Coumarin Dyes

Organic molecules with donor and acceptor configures are widely used in optoelectronic materials. Triphenylamine dyes (TPCTh and TPCRh) are investigated via density functional theory (DFT) and time-dependent DFT. Some microscopic parameters related to light absorption and photoelectric formation are...

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Detalles Bibliográficos
Autores principales: Li, Xinrui, Song, Peng, Zhao, Dongpeng, Li, Yuanzuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663121/
https://www.ncbi.nlm.nih.gov/pubmed/33137902
http://dx.doi.org/10.3390/ma13214834
Descripción
Sumario:Organic molecules with donor and acceptor configures are widely used in optoelectronic materials. Triphenylamine dyes (TPCTh and TPCRh) are investigated via density functional theory (DFT) and time-dependent DFT. Some microscopic parameters related to light absorption and photoelectric formation are calculated to interpret the experimental performance in dye-sensitized solar cells (DSSC(S)). Considering that coumarin derivatives (Dye 10 and Dye 11) have good donor and acceptor structures, they also have a COOH group used as an anchoring group to connect with semiconductors. Thus, the two dyes’ photophysical and photoelectric properties are analyzed to estimate the performance and application in DSSCs.

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