What is it about?
A new insight concerning hydrophobic nanoparticles in different organic dispersions is resented by means of Molecular Dynamics simulations. In this context, the interactions of oleylamine-capped gold nanoclusters were simulated with different molecules of organic solvents. Interparticle distances, ligand-ligand interactions and ligand-solvent interactions are compared for different cases of non-polar and polar oil solvents. This can support different ways of selected dispersibility based in the resulting behaviour of the simulation runs.
Featured Image
Photo by Pawel Czerwinski on Unsplash
Why is it important?
Nanoparticles covered by ligands of long hydrocarbon chains are known for their ordered assemblies and hydrophobic dispersibility, if then the interactions forces are not usually demonstrated from a theoretical point of view. Molecular Dynamics simulations can support experimental results and provide an insightful overview about different solvent conditions of nanoparticle dispersions. The affinity of the solvent molecules with the capping ligands of nanoparticles is crucial for their dispersibility or aggregation.
Perspectives
The results from the reported simulations can offer a further insight about stabilization effects of hydrophobic nanoparticles, which can be tuned by different solvent conditions.
Rebeca Fortes Martín
Helmholtz Zentrum Berlin
Read the Original
This page is a summary of: Stabilization of Oil‐Dispersible Nanoparticles in Different Organic Solvents: A Computational Study, ChemPhysChem, January 2026, Wiley,
DOI: 10.1002/cphc.202500695.
You can read the full text:
Contributors
The following have contributed to this page
