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Hot kinetic model as a guide to improve organic photovoltaic materialsстатья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Sosorev Andrey Yurievich, Godovsky Dmitri, Paraschuk Dmitry
- Журнал: Physical Chemistry Chemical Physics
- Год издания: 2018
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- DOI: 10.1039/C7CP06158G
- Аннотация: 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%.
- Добавил в систему: Годовский Дмитрий Юльевич
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