Materials Chemistry and Physics, Vol.147, No.3, 410-422, 2014
Inhomogeneity, anisotropy, and size effect in the interfacial energy of Ca(OH)(2) hexagonal-prism shaped nanocrystals in water
Inhomogeneity, anisotropy, and size effect in the interfacial energy of aqueous platy Ca(OH)(2) nanocrystals faceted by {0001} and {(1) over bar 010} surfaces are theoretically investigated. The approach in calculations of the specific interfacial energies is based on determination of the near-surface distribution of the electrostatic field at crystal facets by means of Madelung-like lattice sums and identification of the preferential adsorption sites of water molecules. The quantified high anisotropy in the specific interfacial energy is consistent with a platy morphology of aqueous Ca(OH)(2) nanocrystals according to experimental observations. The results obtained in this study, may be helpful particularly in the analysis of nucleation and stability of Ca(OH)(2) aggregates and their interaction with aqueous ionic species. (C) 2014 Elsevier B.V. All rights reserved.