Publication date: 17th July 2025
The application of self-assembled molecules (SAMs) as selective contacts in optoelectronic devices has rocketed during the last four years due to the impressive enhancement in efficiency and the stability achieved in the devices containing SAMs. These SAMs are molecules of low molecular weight made of an anchoring group that form a covalent bond with the substrate, a linker that influences the molecular packing and ensures conductivity through the molecule and the terminal group. This terminal group is in direct contact with the emissive layer determining its packing and crystallization, also affecting the properties at the interface. Therefore, the composition of SAMs deeply influences the interfacial charge dynamics on the device under operational conditions which reflects in the performance and stability Moreover, SAMs form ultrathin layers. This means that the transmittance of the substrate does not vary significantly upon the addition of a SAM and that the amount of required material is low. In combination with the fact that SAMs can be deposited by dip coating or spin coating, the potential cost of the production of the devices can be lowered. For these reasons, SAMs are an excellent alternative to the traditional hole transport materials such as PEDOT:PSS (poly(3,4-ethylenedioxythiophene) polystyrene sulfonate) or PTAA (poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine), whose instability under operational conditions or its inherent acidity compromises the device stability.
SAMs have become well known as efficient hole selective contacts in perovskite solar cells and, to a less extent, in light emitting diodes (LEDs) prepared with perovskite nanocrystals. In all these cases, they contribute to the charge transport of holes between the electrodes and the photoactive layer. However, publications about their application as electron selective contacts in LEDs are infrequent. In this work, examples on the use of selected SAMs either hole or electron selective contacts in LEDs based on perovskite or CdSe/ZnS nanocrystals will be presented. In all cases, the molecular structure of the SAMs will be correlated with the morphologic and photophysical effects arisen at the interface with the emissive layer which translates to the performance of LEDs.
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