A theoretical study on blue‐green phosphorescent iridium (III) complexes with low‐efficiency roll‐off properties

Abstract

Here, eight phosphorescent heteroleptic cyclometalated Ir (III) complexes were theoretically designed to identify some suitable organic light-emitting diode materials. (F 2 -PYBPY) 2 Ir (acac) (marked 1), (F 2 -PYBPY) 2 Ir (tpip) (marked 2), (PYBPY) 2 Ir (acac) (marked 3), (PYBPY) 2 Ir (tpip) (marked 4), (F 2 -PYPY) 2 Ir