For the design of new metal-free emitters, the project aims to use 24/7 RPA (Robotic Process Automation) technology to generate a set (5000-10000 units) of new donor-acceptor or donor-acceptor-donor organic structures based on the chosen molecular skeleton. Parallely, target theoretical parameters such as singlet and triplet energy differences (deltaEST) of new compounds excited states will be calculated. Current data can be chosen as one of the key features for the search of third-generation metal-free TADF emitters. During the first stage, the researcher/student, under the chosen condition, i.e. deltaEST~0.01-0.20 eV, would regularly filter the generated set of new structures by identifying potential ones and, in the next stage, would synthesize and investigate their photophysical properties experimentally. Finally, experimental data will be compared with the theoretical parameters obtained using the RPA technique.
Period of project implementation: 2023-10-04 - 2024-04-30
Project coordinator: Kaunas University of Technology
