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Insight into incident photon to current conversion efficiency in chlorophylls
  • Samira Sabagh,
  • Mohammad Izadyar,
  • Foroogh Arkan
Samira Sabagh
Ferdowsi University of Mashhad

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Mohammad Izadyar
Ferdowsi University of Mashhad,
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Foroogh Arkan
Ferdowsi University of Mashhad
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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, were studied in the gas phases. The extension of the π-conjugated system, the substitution of the central Mg2+ 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 other studied chlorophylls. Chl d, Phe a, Phe y and Mg-Phe a, have a greater rate of the exciton dissociation in comparison with Chl a, Chl b, and Chl c2 originated from a lower electronic chemical hardness, a lower exciton binding energy, and a bigger electron-hole radius. As a result, better efficiencies of the light-harvesting and energy conversion of the chlorophylls mainly appear in the Soret band. Finally, based on the energy conversion efficiency, Chl a, Phe a, and Mg-Phe a, are proposed as the best candidates for using in the dye-sensitized solar cells.
28 Sep 2020Published in International Journal of Quantum Chemistry. 10.1002/qua.26483