Photophysical and DFT investigation of imidazole-based hole transporting materials for phosphorescent OLEDs with high current efficiency

Abstract Organic small molecules have played a significant role in the field of organic light-emitting diodes (OLEDs) technology. Improving the stability of OLEDs continues to be a major task in organic electronics. To overcome this issue, it is essential to enhance the carrier injection into the emissive layer for better charge balance. Though OLEDs are highly desirable for the solution process, enabling simple and cost-effectively manufacturing to fabricate large-area devices, the development of hole-transporting materials (HTMs) still a considerable challenge. Herein the IMzN (1-(4-methoxyphenyl)-2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole) and IMzB (4-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)benzoic acid) with excellent solution processability and stability suitable for efficient OLED devices using a simple and efficient microwave-assisted synthetic procedure. Thermogravimetric analysis of IMzN and IMzB suggested that the material be thermally stable up to 320–345 °C. No glass transition has occurred as confirmed by DSC indicating the amorphous nature of the materials, which is well supported by XRD analysis. Materials acquire the appropriate HOMO levels for favorable hole injection as well as superior hole mobility. As a result, both HTMs show better device performance than the commercially used TAPC. The IMzB as HTL shows remarkable current efficiency of 91.13 cd A-1 and EQE of 21.11%. This is the highest current efficiency reported using solution-processed green phosphorescent OLEDs. Devices with IMzB as HTL also exhibit relatively better stability under continuous stress.