AbstractThe excellent contrast ratio, visibility, and advantages in producing thin and light displays let organic light emitting diodes change the paradigm of the display industry. To improve future display technologies, higher electroluminescence efficiency is needed. Herein, the detailed study of the non-radiative decay mechanism employing density functional theory calculations is carried out and a simple, general strategy for the design of the ancillary ligand is formulated. It is shown that steric bulk properly directed towards the phenylisoquinoline ligands can significantly reduce the non-radiative decay rate.