Janus Ligand-Tethered Nanoparticles at Liquid–Liquid Interfaces

[Image: see text] We investigate the structural properties of Janus ligand-tethered nanoparticles at liquid–liquid interfaces using coarse-grained molecular dynamics simulations. The effect of interactions between different chains and liquids is discussed. We consider the Janus particles with symmetrical interactions with the liquids which correspond to supplementary wettability and particles with uncorrelated interactions. Simulation results indicate that the Janus hairy particles trapped in the interface region have different configurations characterized by the vertical displacement distance, the orientation of the Janus line relative to the interface, and the particle shape. The Janus hairy particles present abundant morphologies, including dumbbell-like and typical core–shell, at the interface. The shape of adsorbed particles is analyzed in detail. The simulation data are compared with those predicted by a simple phenomenological approach. This work can promote the applications of Janus hairy particles in nanotechnology.