Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles

N-heterocyclic carbene (NHC) iridium(III) complexes are considered as promising candidates for blue emitters in organic light-emitting diodes. They can play the roles of the emitter as well as of electron and hole transporters in the same emission layer. We investigate optical transitions in such co...

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Veröffentlicht in:	The Journal of chemical physics 2024-02, Vol.160 (8)
Hauptverfasser:	Lebedeva, Irina V., Jornet-Somoza, Joaquim
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbenes Dipoles Electronic structure Electrons Emission analysis Emitters Excitation Excitons First principles Iridium compounds Optical properties Organic light emitting diodes Oscillators Spatial distribution Spin-orbit interactions
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