Capping Ligand Vortices as "Atomic Orbitals" in Nanocrystal Self-Assembly.


We present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We show that the bonding of two nanocrystals is characterized by ligand textures in the form of vortices. These results are generalized to nanocrystals of different types (differing… (More)
DOI: 10.1021/acsnano.7b05694

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