Effective Factors for Optimizing Metallophthalocyanine-Based Optoelectronic Devices: Surface-Molecule Interactions

As a promising structure for fabricating inorganic-organic-based optoelectronic devices, metal-metallophthalocyanine (MPc) hybrid layers are highly important to be considered. The efficient charge injection and transport across the metal/MPc interface are strictly dependent on the precise molecular orientation of the MPcs. Therefore, the efficiency of MPc-based optoelectronic devices strictly depends on the adsorption and orientation of the organic MPc on the inorganic metal substrate. The current review aims to explore the effect of the terminated atoms or surface atoms as an internal stimulus on molecular adsorption and orientation. Here, we investigate the adsorption of five different phthalocyanine molecules-free-based phthalocyanine (H₂Pc), copper phthalocyanine (CuPc), iron phthalocyanine (FePc), cobalt phthalocyanine (CoPc), vanadyl phthalocyanine (VOPc)-on three metallic substrates: gold (Au), silver (Ag), and copper (Cu). This topic can guide new researchers to find out how molecular adsorbance and orientation determine the electronic structure by considering the surface-molecule interactions.