Journal
ACS NANO
Volume 6, Issue 3, Pages 2118-2127Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn3000466
Keywords
nanocrystal shape; PbSe; oleic acid; density functional theory; Wulff construction
Categories
Funding
- King Abdullah University of Science and Technology (KAUST) [KUS-C1-018-02]
- National Science Foundation
- Louisiana Optical Network Initiative [DMR050036]
Ask authors/readers for more resources
Density functional calculations for the binding energy of oleic acid-based ligands on Pb-rich {100} and {111} facets of PbSe nanocrystals determine the surface energies as a function of ligand coverage. Oleic acid is expected to bind to the nanocrystal surface in the form of lead oleate. The Wulff construction predicts the thermodynamic equilibrium shape of the PbSe nanocrystals. The equilibrium shape is a function of the ligand surface coverage, which can be controlled by changing the concentration of oleic acid during synthesis. The different binding energy of the ligand on the {100} and {111} facets results in different equilibrium ligand coverages on the facets, and a transition in the equilibrium shape from octahedral to cubic is predicted when increasing the ligand concentration during synthesis.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available