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DOE OSTI · 3022764

Singlet Fission

Michl, Josef [Univ. of Colorado, Boulder, CO (United States)]
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Abstract

This report summarizes key findings from DOE Award DE‑SC0007004 – Singlet Fission, documenting more than a decade of research led by Professor Josef Michl. The project advanced foundational understanding of singlet fission (SF) through integrated synthetic, spectroscopic, crystallographic, and computational studies. Across a diverse set of chromophores—including tetracenes, cibalackrot derivatives, BODIPY dimers, TDPPs, and fluorinated isobenzofurans—the team identified structural and packing features that enable or inhibit SF, clarified the roles of charge‑transfer intermediates and excimer formation, and developed simplified theoretical models and computational screening tools for predicting optimal geometries and excited‑state-energetics. The work significantly broadened design principles for SF‑active materials and provided insights relevant to next‑generation solar energy conversion and molecular photophysics.

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14 SOLAR ENERGY71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

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Michl, Josef [Univ. of Colorado, Boulder, CO (United States)]. 2026-03-06. Singlet Fission. https://doi.org/10.2172/3022764

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