International Journal of Quantum Chemistry, ( ISI ), Volume (121), No (5), Year (2020-9)

Title : ( Insight into incident photon to current conversion efficiency in chlorophylls )

Authors: samira sabagh , Mohammad Izadyar , Foroogh Arkan ,

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Photovoltaic properties of the natural dyes of chlorophylls consist ofChl a,Chl b,Chl c2,Chl d,Phe a,Phe y,andMg-Phe aand have been studied in the gas phasesand water. The extension of theπ-conjugated system, the substitution of the centralMg2+, and proper functional groups in the chlorophyll structures can amplify thecharge transfer and photovoltaic performance.Chl ashows more favorable dynamicsof charge transfer than the other studied chlorophylls.Chl d,Phe a,Phe y,andMg-Phe ahave a greater rate of exciton dissociation in comparison withChl a,Chl b,andChl c2originating from a lower electronic chemical hardness, a lower exciton bind-ing energy, and a bigger electron-hole radius. As a result, better efficiencies of lightharvesting and energy conversion of the chlorophylls mainly appear in the Soret band.The light-harvesting efficiency values of the chlorophylls in water show that solventfavorably affects the ability of light harvesting of the photosensitizers. Finally, basedon the energy conversion efficiency,Chl a,Phe a,andMg-Phe aare proposed as thebest candidates for use in the dye-sensitized solar cells.


, absorption wavelength, chlorophyll, energy conversion, exciton dissociation
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author = {Sabagh, Samira and Izadyar, Mohammad and Arkan, Foroogh},
title = {Insight into incident photon to current conversion efficiency in chlorophylls},
journal = {International Journal of Quantum Chemistry},
year = {2020},
volume = {121},
number = {5},
month = {September},
issn = {0020-7608},
keywords = {absorption wavelength; chlorophyll; energy conversion; exciton dissociation},


%0 Journal Article
%T Insight into incident photon to current conversion efficiency in chlorophylls
%A Sabagh, Samira
%A Izadyar, Mohammad
%A Arkan, Foroogh
%J International Journal of Quantum Chemistry
%@ 0020-7608
%D 2020