SKM 2023 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 2: Modeling and Simulation of Soft Matter I

CPP 2.12: Talk

Monday, March 27, 2023, 12:45–13:00, MER 02

The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets — •Nanning Petersen, Martin Girard, Andreas Riedinger, and Omar Valsson — Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz

The precipitation of ligand coated cadmium selenide nanoplatelets is linked to the formation of nanoplatelet stacks. The exact nature of nanoplatelets’ interaction is an open question, as the van der Waals attraction is too weak to be the cause of stack formation. CdSe nanoplatelets combine a large facet to particle size ratio, and a very dense ligand shell. Both features are in favor of interactions in the form of solvation forces.

We use coarse-grained molecular dynamics simulations of ligand coated nanoplatelets in different alkane solvents to investigate the role of solvation forces in nanoplatelet interactions [1]. We demonstrate that solvation forces resulting from solvent layering are sufficiently strong to stabilize nanoplatelet stacks. We examine the dependence of solvation forces on the nanoplatelets’ ligand shell, size, and other parameters. In particular, we demonstrate that for sufficiently large nanoplatelets, solvation forces are proportional to the interacting facet area. We show that their strength is intrinsically tied to the softness of the ligand shell, depends on the isomer of the alkane solvent, and is increasing with the alkane molecule length.
[1] N. Petersen, M. Girard, A, Riedinger, and O. Valsson, ChemRxiv, doi:10.26434/chemrxiv-2022-mw1cs-v3 (2022), accepted for publication in Nano Letters