Issue 18, 2015

Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective

Abstract

A detailed molecular-level understanding of both the photoluminescence and electroluminescence properties of transition-metal (TM) complexes used as emitters in organic light-emitting diodes (OLEDs) is vital to pave the way to the next generation of OLEDs materials. In this Perspective, we present recent ab initio and density-functional theory (DFT) results, including or not spin–orbit couplings (SOCs), focused on disentangling competing photodeactivation mechanisms of radiative and non-radiative nature in target Pt(II) and Ir(III) complexes. These complexes are the most widespread organo-transition metal compounds for OLEDs applications. We address their photodeactivation dynamics, their temperature-dependent photoluminescence kinetics and some unusual photophysical properties (such as, e.g., dual photoluminescence or non-Kasha emissive behaviour). In addition, we discuss the pending questions regarding the photophysics of these systems, which will require the interplay between theoretical and experimental efforts.

Graphical abstract: Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective

Article information

Article type
Perspective
Submitted
11 Dec 2014
Accepted
19 Jan 2015
First published
21 Jan 2015

Dalton Trans., 2015,44, 8346-8355

Author version available

Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective

D. Escudero and D. Jacquemin, Dalton Trans., 2015, 44, 8346 DOI: 10.1039/C4DT03804E

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