Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 24, Pages 3027-3029Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b503899e
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Molecular dynamics simulations of aqueous solution/goethite interfaces show that the classical models of the electrical double layer do not accurately describe the distribution of ions near the surface ( such a distribution is present even when the surface is neutral) and that the explicit treatment of solvent molecules is essential to capture the effects of the surface on the liquid phase.
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