articleNature CommunicationsFeb 28, 2024GOLD OA

Rational molecular and device design enables organic solar cells approaching 20% efficiency

Hong Kong Polytechnic University · Chongqing Institute of Green and Intelligent Technology · +7 more institutions

PubMed
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Abstract

For organic solar cells to be competitive, the light-absorbing molecules should simultaneously satisfy multiple key requirements, including weak-absorption charge transfer state, high dielectric constant, suitable surface energy, proper crystallinity, etc. However, the systematic design rule in molecules to achieve the abovementioned goals is rarely studied. In this work, guided by theoretical calculation, we present a rational design of non-fullerene acceptor o-BTP-eC9, with distinct photoelectric properties compared to benchmark BTP-eC9. o-BTP-eC9 based device has uplifted charge transfer state, therefore significantly reducing the energy loss by 41 meV and showing excellent power conversion efficiency of…

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