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The recent interest on the manipulation of chemical processes within confined electromagnetic environments has opened up new directions on theoretical efforts to rationally design and understand the emergent dynamics of organic molecules embedded in the former.
In this work, we extent the theoretical methodology toolbox to treat these systems by presenting a variational approach applicable to different regimes of vibronic coupling (dynamical disorder) and light-matter couplings for organic molecules. We use this method to understand and predict the influence of coupling of molecular aggregates to photon fields on triplet harvesting. The latter, being a relevant photophysical process for the design of efficient optoelectronic devices, has been recently and experimentally shown to be effectively changed in optical microcavities.
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Luis Angel Martinez Martinez, Elad Eizner, Stéphane Kéna-Cohen, Joel Yuen-Zhou, "Triplet harvesting in the polariton regime: a variational polaron approach," Proc. SPIE 11473, Organic and Hybrid Light Emitting Materials and Devices XXIV, 114730U (20 August 2020); https://doi.org/10.1117/12.2569299