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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 41: Crystallization, Nucleation and Self-Assembly

CPP 41.6: Vortrag

Donnerstag, 8. September 2022, 16:45–17:00, H39

The Crucial Role of Solvation Forces in Inter-Nanoplatelet Interactions and Stack Formation — •Nanning Petersen, Martin Girard, Andreas Riedinger, and Omar Valsson — Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz

Cadmium selenide nanoplatelets show the tendency to form stacks in apolar alkane solvents. This effect is very similar to the stack formation of micron-sized discs, which can be induced by depletion forces. However, the interplay of the various forces leading to stack formation of nanoplatelets remains unclear. Solvation forces are in their origin and behaviour very similar to depletion forces.

Here, we use coarse-grained molecular dynamics simulations of nanoplatelets in octane solvent to investigate the role of solvation forces in nanoplatelet interactions. 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, and their strength is intrinsically tied to the softness of the ligand shell. The solvation forces exhibit an oscillatory nature; increases in their strength leads to a stronger attraction between close nanoplatelet facets and in addition to an increase in the kinetic barriers.
[1] N. Petersen , M. Girard, A, Riedinger, and O. Valsson, ChemRxiv, doi:10.26434/chemrxiv-2022-mw1cs (2022)