Ninhydrin-Glycine Schiff base complexes for efficient OLED devices: Modeling and Experimentation

In this work, we have designed four Schiff base complexes derived from ninhydrin-glycine ligand (NG) with Co (II), Zn (II), Al (III) and Fe (III) metals. A combined experimental and density functional theory (DFT) calculations, are performed to investigate the optoelectronic and charge transport properties. As a result, good agreement between the calculated results and the experimental one is achieved. Moreover, our investigation shows that Al-NG complex has good and balance hole and charge transfer with good mobility equal to 8.44 10
^-6
cm
²
V
^-1
s
^-1
and 7.1 10
^-6
cm
²
V
^-1
s
^-1
for, respectively. Furthermore, we have calculated the electron and hole injection barriers to estimate the possibility of introducing these studied compounds in ITO/PEDOT:PSS/complex/BCP/Ag multilayer OLED device. Consequently, smaller barriers are found using Al-NG complex wich means that this compound has the best efficiency.