Dresden 2014 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
CPP: Fachverband Chemische Physik und Polymerphysik
CPP 54: Poster Session 3
CPP 54.73: Poster
Donnerstag, 3. April 2014, 15:00–19:00, P2
Interactions between capped gold nanocrystals in vacuum: presence of three-body effects — •Nadezda Gribova1, Gernot Bauer1, Christian Holm2, and Joachim Groß1 — 1ITT, University of Stuttgart, Stuttgart, Germany — 2ICP, University of Stuttgart, Stuttgart, Germany
Self-assembly of capped nanocrystals became an active topic during the last years. Nanocrystals are currently used in many areas of engineering and life sciences or medicine. However, a full understanding of their mechanical and thermodynamical stability is still lacking. Nanocrystals are usually capped with some organic ligands, which prevent aggregation. These capping molecules play an important role in the self-assembly of the nanoparticles -- the ratio between the ligand length and the diameter of the nanocrystal core determines the structure of the superlattice in which nanoparticles assemble.
In this study, we report the potential of mean force between gold nanocrystals capped with alkylthiols. We propose a simple but accurate temperature-scaling of this effective pair potential, based on a perturbation theory. Schapotschnikow and Vlugt [1] have shown that effective three-body interactions exist between capped nanocrystals. We analyze the dependence of the 3-body contribution on different ligand lengths and core sizes and show that the 3-body potential does not significantly depend on the temperature. We also propose a three-body potential that scales with the repulsive part of the effective pair potential.
[1] P. Schapotschnikow et al., Nano. Lett. 8, 2930, (2008)