Publié le 21 octobre 2022 Mis à jour le 30 avril 2023


Université Clark d'Atlanta, Etats-Unis
Professeure invitée du laboratoire LPPI
Séjour du 7 au 16 décembre 2022
Curriculum Vitae

Optimizing Organic Light-Emitting Diodes
Perhaps the most prevalent use of organic semiconductors is the organic light-emitting diode – or ‘OLED’. Based on organic semiconducting materials, OLEDs can produce light when an electrical current is passed through them, making them the perfect candidate for display screens and lighting applications. In fact, many modern devices, such as TVs, smartphones, tablets, and laptops already use OLEDs as the basis for their vibrant displays.
OLEDs are popular for many reasons. Not only do they produce lightweight and flexible displays, but they are also relatively energy efficient. They are also cheap to manufacture, as unlike similar technologies, they don’t require rare elements or expensive materials.
We have been investigating a particular property of OLEDs known as thermally activated delayed fluorescence (TADF). This is a unique ability of certain luminescent materials where an efficient path for light generation becomes available upon heating when the molecule absorbs the surrounding thermal energy. This interesting property holds much potential in developing highperformance OLEDs.
We have been investigating this phenomenon by carrying out a wide range of computational simulations. In our previous work in this area, we have developed vast quantum-chemical calculations using density functional theory on a variety of materials. These calculations can be used to quantify the noncovalent interactions that facilitate TADF in these systems. Working closely with organic synthetic chemists and device engineers, we were able to identify the best molecules with highest potential.
In this project, we will use a combination of quantum-chemical calculations and molecular dynamics simulations to gain a deeper understanding of electronic and optical processes in TADF based OLEDs. We will investigate numerous aspects of these materials, including their electronic structures, electron-vibrational couplings, spin-orbit couplings, intersystem crossing, radiative and non-radiative transitions, as well as host-guest interactions and the dynamics of charge and energy transfer processes. This new knowledge will greatly aid the development of new and improved technologies and will contribute to the next materials-driven advancement of the OLED industry for full-color displays and lighting.