Epitaxial Relationships between Calcium Carbonate and Inorganic Substrates

International Journal of Molecular Sciences

Taewook Yang¹  Jae Young Jho¹ 

[1]School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742, Korea

[2] E-Mail:

关键词: biomineralization;    polymorphism;    calcium carbonate;    heterogeneous nucleation;    epitaxy;   

DOI  :  10.3390/ijms150916320

来源: mdpi

【 摘 要 】

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\.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.