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Small-angle neutron and X-ray scattering, neutron backscattering and neutrontime-of-flight spectroscopy are applied to reveal the structure of the ligandshell, the temperature-dependent diffusion properties and the phonon spectrumof PbS nanocrystals functionalized with oleic acid in deuterated hexane. Thenanocrystals decorated with oleic acid as well as the desorbed ligand moleculesexhibit simple Brownian diffusion with a Stokes-Einstein temperature-dependenceand inhibited freezing. Ligand molecules desorbed from the surface show strongspatial confinement. The phonon spectrum of oleic acid adsorbed to thenanocrystal surface exhibits hybrid modes with a predominant Pb-character.Low-energy surface modes of the NCs are prominent and indicate a largemechanical softness in solution. This work provides comprehensive insights intothe ligand-particle interaction of colloidal nanocrystals in solution andhighlights its effect on the diffusion and vibrational properties as well astheir mechanical softness.

A Neutron Scattering Perspective on the Structure, Softness and Dynamics of the Ligand Shell of PbS Nanocrystals in Solution