The
appropriate choice of host and electron-transporting material
(ETM) plays a very crucial role in the generation and collection of
radiative excitons in the desired recombination zone of organic light-emitting
diodes (OLEDs). Due to the sustainable development of material organic
chemistry, there is a big library of functional materials that leads
to uncountable combinations of device structures, which might achieve
a desirable high device performance. However, there is no appropriate
methodology available for the fast virtual screening of organic materials
and designing a suitable device structure. Here, we have used the
electrical software package SETFOS 4.5 for high-throughput virtual
screening of host materials and developed a highly efficient multistack
OLED device structure. To further enhance the device performance,
a co-host approach has been used, and the final device structure has
also been optimized with two different ETMs. The best-optimized Ir(ppy)3-based solution-processed green OLED device exhibited a maximum
power efficiency (PE) of 83.20 lm/W and brightness of 61,362 cd/m2 with a driving voltage of 2.1 V without using any light extraction
outcoupling techniques, which is the best among the OLEDs in its own
category. The developed device structure has also been utilized to
fabricate highly efficient blue hazard-free low-color temperature
OLEDs for a physiologically friendly light at night. The resultant
2083 K OLED device displayed a maximum PE of 51.4 lm/W and luminance
of 44,548 cd/m2 with a turn-on voltage of 2.1 V that is
also 42 and 104 times safer in terms of retinal protection and ∼4
and ∼11 times safer in terms of melatonin generation when compared
with those of a real candle and incandescent bulb, respectively. The
observed excellent device performance may be attributed to the balanced
charge carrier in the recombination zone, broader emissive layer due
to a mixed-host system, less accumulation of charges at the injecting
surfaces, well-aligned triplet energy and molecular orbital energy
level of the host and guest, and high electron mobility and enhanced
hole blocking ability of the employed ETM in the designed OLED device
structure.