Prediction of the Efficiency of Phosphorescent Emitters: A?Theoretical Analysis of Triplet States in Platinum Blue Emitters |
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| Authors: | Piermaria Pinter Prof?Dr Thomas Strassner |
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| Institution: | Department Chemie und Lebensmittelchemie, Professur für Physikalische Organische Chemie, Technische Universität, Dresden, 01069 Germany |
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| Abstract: | DFT methods are routinely used to predict the excited-state structure of phosphorescent triplet emitters. However, sometimes they fail: different functionals predict diverse lowest adiabatic emissive states. An evaluation is undertaken to determine whether it is possible to use DFT methods to investigate the triplet emitter's hypersurfaces and to explain the experimental observation that similar ligands lead to remarkably diverse phosphorescence quantum yields. |
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| Keywords: | density functional calculations OLEDs phosphorescence platinum quantum yield triplet emitters |
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