Abstract

Singlet fission, a multiple exciton generation process, can revolutionize existing solar cell technologies. Offering the possibility to double photocurrent, the process has become a focal point for physicists, chemists, software developers, and engineers. The following review is dedicated to the female investigators, predominantly theorists, who have contributed to the field of singlet fission. We highlight their most significant advances in the subject, from deciphering the mechanism of the process to designing coveted singlet fission materials.

Highlights

  • A Chinese proverb says that “Pearls don’t lie on the seashore

  • Our results clearly demonstrated the power of boron doping and topological approach in the design of new singlet fission molecules based on polycyclic aromatic hydrocarbons (PAHs)

  • The openshell character and stability of such hydrocarbon substructures were explained by the spin-polarization mechanism and resonance structures, which allows for the design of new singlet fission chromophores even without the use of computational power

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Summary

Introduction

A Chinese proverb says that “Pearls don’t lie on the seashore. If you want one, you must dive for it.” There are such female divers, amas, in the realm of singlet fission. There are such female divers, amas, in the realm of singlet fission. According to symbolism, buried within the shell, the pearl from the Chinese proverb represents “hidden knowledge and is highly feminine” [1]. Though women are excellent research partners and always work in mixed scientific teams, in accordance with the topic of the Special Issue, Women in Physical Chemistry, this review honors women who have dived in the singlet fission deep-sea and revisits their co-authored works on the subject with a focus on the theoretical studies. As representatives of a female group, we would like to share our strategy for the design of singlet fission materials. In the world’s green race to utilize the naturally generated energy, singlet fission is a milestone in solar-to-chemical energy conversion

Singlet Fission Renaissance
The Open Shells
From Molecular Design to Lab Realization
Closing Words

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