Predicting nanocrystal shape through consideration of surface-ligand interactions.

@article{Bealing2012PredictingNS,
  title={Predicting nanocrystal shape through consideration of surface-ligand interactions.},
  author={Clive R Bealing and William J Baumgardner and Joshua J Choi and Tobias Hanrath and Richard G. Hennig},
  journal={ACS nano},
  year={2012},
  volume={6 3},
  pages={2118-27}
}
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… CONTINUE READING

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