Publication date: 15th July 2022
Overall colloidal stability of nanocrystals (NCs) is governed by the combination of binding strength of the ligand to the NC surface and ligand-solvent interactions. The molecular structure of the capping ligand largely defines NC properties[1], such as solubility[2], chemical reactivity, electronic properties and interparticle interaction in dense NC solids[3]. Thus far, very limited progress had been attained for lead halide perovskite NCs in molecular engineering of ligands while ensuring their tight binding. Novel phosphoethanolamine (PEA) zwitterion ligands offer high affinity and geometric fitness to the ionic surfaces of perovskite NCs, as confirmed by molecular dynamics simulations and solid-state NMR. Their facile synthesis allows for fine-tailoring of the NC surface functionalities, as required for colloidal stability, compatibility with other materials and for prospective applications. Particularly, a branched aliphatic tail is best compatible with cyclohexane and other low-molecular mass hydrocarbon solvents. At the same time, imparting a phenyl group at the tail renders NCs incompatible with aliphatic hydrocarbon solvents. Likewise, polymer-grafted ligands allow for further engineering. For instance, polyethyleneglycol tail (PEG-Me) results in colloidal stability in a large range of solvents od diverse polarity, including acetone and acetylacetone. Polystyrene-grafted PEA ligands with molecular mass ranging from 930 to 9000Da translate into finely adjustable NC-NC distances in 2D- and 3D-assemblies of perovskite NCs.
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