Density functional theory investigation on iridium(iii) complexes for efficient blue electrophosphorescence

Abstract

The geometrical structures, electronic structures, optoelectronic properties and phosphorescence efficiencies of blue-emitting phosphors [Ir(fpmi)2(pyim)], [Ir(pyim)2(fpmi)], [Ir(fpmi)2(fptz)], [Ir(fpmi)2(pypz)] and [Ir(tfmppz)2(pyim)]), were investigated by DFT and TDDFT methods.