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Insight into incident photon to current conversion efficiency in chlorophylls
Author(s) -
Sabagh Samira,
Izadyar Mohammad,
Arkan Foroogh
Publication year - 2021
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26483
Subject(s) - exciton , chemistry , chlorophyll a , photochemistry , energy conversion efficiency , chlorophyll , dissociation (chemistry) , band gap , materials science , optoelectronics , physics , organic chemistry , biochemistry , quantum mechanics
Photovoltaic properties of the natural dyes of chlorophylls consist of Chl a , Chl b , Chl c2 , Chl d , Phe a , Phe y , and Mg‐Phe a and have been studied in the gas phases and water. The extension of the π‐conjugated system, the substitution of the central Mg 2+ , and proper functional groups in the chlorophyll structures can amplify the charge transfer and photovoltaic performance. Chl a shows more favorable dynamics of charge transfer than the other studied chlorophylls. Chl d , Phe a , Phe y , and Mg‐Phe a have a greater rate of exciton dissociation in comparison with Chl a , Chl b , and Chl c2 originating from a lower electronic chemical hardness, a lower exciton binding energy, and a bigger electron‐hole radius. As a result, better efficiencies of light harvesting and energy conversion of the chlorophylls mainly appear in the Soret band. The light‐harvesting efficiency values of the chlorophylls in water show that solvent favorably affects the ability of light harvesting of the photosensitizers. Finally, based on the energy conversion efficiency, Chl a , Phe a , and Mg‐Phe a are proposed as the best candidates for use in the dye‐sensitized solar cells.