Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles.

@article{Lam2015AtomisticMF,
  title={Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles.},
  author={Julien Lam and David Amans and Christophe Dujardin and Gilles Ledoux and A R Allouche},
  journal={The journal of physical chemistry. A},
  year={2015},
  volume={119 33},
  pages={
          8944-9
        }
}
A predictive model for nanoparticle nucleation has not yet been successfully achieved. Classical nucleation theory fails because the atomistic nature of the seed has to be considered. Indeed, geometrical structure as well as stoichiometry do not always match the bulk values. We present a fully microscopic approach based on a first-principle study of aluminum oxide clusters. We calculated stable structures of AlxOy and their associated thermodynamic properties. From these data, the chemical… 
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