Computer aided design of stable and efficient OLEDs
Loading...
Date issued
Authors
Editors
Journal Title
Journal ISSN
Volume Title
Publisher
Reuse License
Abstract
Organic light emitting diodes (OLEDs) are carbon-based compounds with structures designed for photo- or electro-luminescence, creating a unique alternative to traditional display technologies. Tailored device architecture can offer properties such as flexibility and transparency, presenting unparalleled application possibilities. Therefore, the commercial advancement of OLEDs is highly anticipated, and continued research is vital for improving device efficiency and lifetime. The performance of an OLED relies on an intricate balance between stability, efficiency, operational driving voltage, and colour coordinate, with the aim of optimising these parameters by employing appropriate material design. Multiscale simulation techniques can aid with the rational design of these materials, in order to overcome existing shortcomings. For example, extensive research has focused on the emissive layer and the obstacles surrounding blue OLEDs, in particular, the trade-off between stability and efficiency, while preserving blue emission. To this aim, the novel concept of unicoloured phosphor-sensitised fluorescence (UPSF) has demonstrated the ability to overcome these limitations, by achieving a stable and efficient blue OLED. In order to quantify the potential of such a novel approach and OLED design, computational input is an essential component, making it possible to gain a better fundamental understanding, while highlighting key areas for further device improvements. More generally, due to the vast number of contending organic materials and with experimental pre-screening being notoriously time-consuming, a complementary in-silico approach can be considerably beneficial. The ultimate goal of OLED simulations is the prediction of device properties from chemical composition, prior to synthesis. However, various challenges must be overcome to bring this to a realisation. Computer aided design is becoming an essential component for future OLED developments, and with the field shifting towards machine learning based approaches, in-silico pre-screening is the future of material design.