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TADF mechanism in a carbene-copper emitter: Insights from the nuclear ensemble simulations

By Laure Thieulloy and others at
LogoTechnical University of Denmark
We use the nuclear ensemble approach to study the mechanism of thermally activated delayed fluorescence (TADF) in a carbene-copper-amide (CMA1) emitter. The results obtained for the emitter in the gas phase are consistent with previously published surface hopping non-adiabatic dynamics simulations for the same system. CMA1 has two excited-state conformations... Show more
June 11, 2024
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TADF mechanism in a carbene-copper emitter: Insights from the nuclear ensemble simulations
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