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Control of inorganic morphologies by organic templates

Published online by Cambridge University Press:  11 February 2011

John H. Harding  and
Dorothy M. Duffy
John H. Harding
Affiliation:
Department of Physics & Astronomy, University College London, Gower St, London WC1E 6BT, U.K.
Dorothy M. Duffy
Affiliation:
Department of Physics & Astronomy, University College London, Gower St, London WC1E 6BT, U.K.
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Abstract

Experiments have shown that ordered monolayers of large organic molecules can control crystal nucleation and growth. The work of nucleation controls which morphology and phase will appear. We have used molecular dynamics to simulate the interfaces between stearic acid and a number of calcium carbonate surfaces. An important issue is the ionisation state of the acid which depends on the pH of the solution at the surface. We estimate this by solving the nonlinear Grahame equation for a calcium carbonate solution. The species in solution are chosen from geochemical models. The calculated interfacial binding energy between monolayer and material is often of the order of 1 Jm-2, suggesting that the nucleation rate is strongly enhanced.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 735: Symposium C – Bioinspired Nanoscale Hybrid Systems , 2002 , C11.5
Copyright
Copyright © Materials Research Society 2003

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