Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface

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Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface

We have used ab initio molecular dynamics (AIMD) simulations to study the interaction of water with the NaCl surface. As expected, we find that water forms several ordered hydration layers, with the first hydration layer having water molecules aligned so that oxygen atoms are on average situated abo...

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Bibliographic Details
Main Authors:	Chen, J., Reischl, Bernhard, Spijker, P., Holmberg, N., Laasonen, K., Foster, A.
Format:	Journal Article
Published:	Royal Society of Chemistry 2014
Online Access:	http://hdl.handle.net/20.500.11937/9564

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