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Hot kinetic model as a guide to improve organic photovoltaic materials

Abstract

Modeling of organic solar cells (OSCs) can provide a roadmap for their further improvement. A plenty of OSC models has been proposed for recent years; however, the impact of the key intermediats from photon to electricity — hot charge-transfer (CT) states — on the OSC efficiency is highly ambiguous. In this study, we suggest an analytical kinetic model for OSC that considers a two-step charge generation via hot CT states. This hot kinetic model allowed us to evaluate the impact of different material parameters on the OSC performance: driving force for charge separation, optical bandgap, charge mobility, geminate recombination rate, thermalization rate, average electron-hole separation distance in the CT state, dielectric permittivity, and reorganization energy. In contrast to a widespread trend of lowering material bandgap, the model predicts that this approach is efficient only along with improvement of the other material properties. The most promising ways to increase the OSC performance are decreasing the reorganization energy, i.e. an energy change accompanying CT from the donor molecule to the acceptor one, and increasing the dielectric permittivity. The model suggests that there are no fundamental limitations that can prevent achieving the OSC efficiency above 20%.

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Publication details

The article was received on 09 Sep 2017, accepted on 02 Jan 2018 and first published on 04 Jan 2018


Article type: Paper
DOI: 10.1039/C7CP06158G
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Hot kinetic model as a guide to improve organic photovoltaic materials

    A. Y. Sosorev, D. Godovsky and D. Paraschuk, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP06158G

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