2026-05-30T10:49:33Zhttps://riuma.uma.es/rest/oai/request

oai:riuma.uma.es:10630/172872026-02-03T11:49:43Zcom_10630_2254col_10630_37959

Merging Theoretical Spectroscopy & Computational Chemistry: Thermally Activated Delayed Fluorescence (TADF) as a new light-emitting mechanism for OLEDs Sancho-García, Juan C. Espectroscopia Química computacional We present recent advances and investigations related with a new mechanism for lightemission in conjugated molecules, Thermally Activated Delayed Fluorescence (TADF), seeking to harvest both the singlet and triplet excitons generated under electrical excitation ideally achieveing a 100% of efficiency. The new strategy may fuel the use and manufacturing of 3rd generation OLEDs, although a complete understanding of the molecular mechanism is not fully uncovered yet. Therefore, we will review our recent efforts to address some challenging issues using quantum and atomistic models [1-6]. Among them, we will remark how the mixed nature of the excited-states involved (chargetransfer or locally-excited) ultimately control the singlet-triplet energy difference, and how this is a dynamic process mediated by conformational fluctuations and spin-orbit coupling 2019-02-11T10:45:44Z 2019-02-11T10:45:44Z 2019 2019-02-11 conference output https://hdl.handle.net/10630/17287 eng seminario químcia-física málaga, españa 21 febrero 2019 http://creativecommons.org/licenses/by-nc-nd/4.0/ open access Attribution-NonCommercial-NoDerivatives 4.0 Internacional