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Int. J. Mol. Sci. 2014, 15(9), 16320-16330;

Epitaxial Relationships between Calcium Carbonate and Inorganic Substrates

School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742, Korea
Department of Chemical Engineering, Soongsil University, Seoul 156-743, Korea
Authors to whom correspondence should be addressed.
Received: 30 June 2014 / Revised: 1 September 2014 / Accepted: 9 September 2014 / Published: 15 September 2014
(This article belongs to the Special Issue Biomimetic and Functional Materials)
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The polymorph-selective crystallization of calcium carbonate has been studied in terms of epitaxial relationship between the inorganic substrates and the aragonite/calcite polymorphs with implication in bioinspired mineralization. EpiCalc software was employed to assess the previously published experimental results on two different groups of inorganic substrates: aragonitic carbonate crystals (SrCO3, PbCO3, and BaCO3) and a hexagonal crystal family (α-Al2O3, α-SiO2, and LiNbO3). The maximum size of the overlayer (aragonite or calcite) was calculated for each substrate based on a threshold value of the dimensionless potential to estimate the relative nucleation preference of the polymorphs of calcium carbonate. The results were in good agreement with previous experimental observations, although stereochemical effects between the overlayer and substrate should be separately considered when existed. In assessing the polymorph-selective nucleation, the current method appeared to provide a better tool than the oversimplified mismatch parameters without invoking time-consuming molecular simulation. View Full-Text
Keywords: biomineralization; polymorphism; calcium carbonate; heterogeneous nucleation; epitaxy biomineralization; polymorphism; calcium carbonate; heterogeneous nucleation; epitaxy

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Yang, T.; Jho, J.Y.; Kim, I.W. Epitaxial Relationships between Calcium Carbonate and Inorganic Substrates. Int. J. Mol. Sci. 2014, 15, 16320-16330.

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