Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces

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title = "Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces",
abstract = "Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove and Craven (Dove, P. M.; Craven, C. M. Geochim. Cosmochim. Acta 2005, 69, 4963-4970) and van der Heyden et al. (van der Heyden, F. H. J.; Stein, D.; Besteman, K.; Lemay, S. G.; Dekker, C. Phys. Rev. Lett. 2006, 96, 224502), we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a CR. Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations arc instrumental in the creation of highly charged surfaces and responsible for their CR. Finally, we show that charge correlations result in {"}anomalous{"} charge regulation in strongly coupled conditions in qualitative disagreement with its classical treatment.",
author = "Christophe Labbez and Bo J{\"o}nsson and Michal Skarba and Michal Borkovec",
note = "The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)",
year = "2009",
doi = "10.1021/la900853e",
language = "English",
volume = "25",
pages = "7209--7213",
journal = "Langmuir",
issn = "0743-7463",
publisher = "The American Chemical Society (ACS)",
number = "13",