loading page

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

Corresponding Author:[email protected]

Author Profile
Mohammad Izadyar
, Ferdowsi University of Mashhad
Author Profile
Foroogh Arkan
Ferdowsi University of Mashhad
Author Profile

Abstract

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