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Heterogeneous ice nucleation on silver-iodide-like surfaces

Guillaume Fraux and Jonathan P.K. Doye

J. Chem. Phys. 141, 216101 (2014)

Abstract

We attempt to simulate the heterogeneous nucleation of ice at model silver-iodid e surfaces and find relatively facile ice nucleation and growth at the Ag+ termi nated basal face, but never see nucleation at the I- terminated basal face or th e prism and normal faces. Water molecules strongly adsorb onto the Ag+ terminate d face to give a well-ordered hexagonal ice-like bilayer that then acts as a tem plate for further ice growth.


The full paper is available from The Journal of Chemical Physics and arXiv.org.