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• W2313596495 endingPage "2852" @default.
• W2313596495 startingPage "2846" @default.
• W2313596495 abstract "The Hartman–Perdok analysis has been carried out on the monoclinic P21/c polymorph of Hydroxyapatite (HAp) in order to find the character of the main {hkl} forms and foresee the possible profiles of the related surfaces. Then, the corresponding specific surface energies have been calculated, at 0 K, by ab initio quantum-mechanical calculations, and the HAp equilibrium shape has been obtained: a striking pseudohexagonal prism comes out from the close similarity of the surface energy of the three pinacoids {001}, {100}, and {1̅02}, all developing around the [010] zone axis which runs parallel to the OH channels of the structure bulk. The most stable form, the pinacoid {010}, truncates the pseudohexagonal prism perpendicularly to the OH channels, while the less morphologically important monoclinic prisms {012}, {110}, and {112̅} complete the HAp equilibrium shape. Preliminary considerations are exposed about the morphological path: monoclinic polymorph → twinning → hexagonal polymorph. Finally, a simple kinetic model based on 2D nucleation is proposed to explain the rod-shaped morphology of the solution grown monoclinic HAp, as we obtained at room temperature." @default.
• W2313596495 created "2016-06-24" @default.
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• W2313596495 date "2014-04-29" @default.
• W2313596495 modified "2023-10-14" @default.
• W2313596495 title "Low Symmetry Polymorph of Hydroxyapatite. Theoretical Equilibrium Morphology of the Monoclinic Ca₅(OH)(PO₄)₃" @default.
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• W2313596495 doi "https://doi.org/10.1021/cg5001478" @default.
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