Issue 10, 2022

Computational aspects to design iridium complexes as emitters for OLEDs

Abstract

Organic light-emitting diode (OLED) devices fabricated using iridium complexes have attracted great attention from researchers for decades due to their high efficiency and opto-electronic properties. The choice of ligand and the chelate positions in the emitters play a vital role in the versatility of the device. Accordingly, computational studies have emerged as a reliable tool to provide experimental chemists with prior knowledge on the potential properties of designed complexes, enabling them to achieve higher efficiencies. They also provide essential information on the experimentally unexplored features of systems under study. In this review, we discuss in detail the computational aspects and parameters to be investigated theoretically for the design of potential iridium-based emitters for application in OLEDs. The results obtained for different systems can help arrive at a general conclusion about the modelling of emitters, where they can be designed computationally even before their synthesis as efficient emitters for application in OLEDs.

Graphical abstract: Computational aspects to design iridium complexes as emitters for OLEDs

Article information

Article type
Review Article
Submitted
30 Apu 2022
Accepted
30 Juu 2022
First published
20 Jul 2022

Mol. Syst. Des. Eng., 2022,7, 1172-1206

Computational aspects to design iridium complexes as emitters for OLEDs

M. Savitha Lakshmi and S. Mahalakshmi, Mol. Syst. Des. Eng., 2022, 7, 1172 DOI: 10.1039/D2ME00077F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements