Dresden 2014 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 18: Solid-liquid Interfaces II

O 18.5: Vortrag

Montag, 31. März 2014, 17:00–17:15, WIL A317

Nanoconfinement Effects on Hydrated Excess Protons in Layered Materials — •Daniel Muñoz-Santiburcio, Carsten Wittekindt, and Dominik Marx — Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44801 Bochum, Germany

Nanoconfined water has been widely studied in both wire-like and two-dimensional environments. A feature of particular interest in such systems is the behavior of excess protons. While proton transfer in bulk water has been widely studied, almost all efforts in studying excess protons in confined water systems are devoted to water wires due to their importance in biological systems and in view of technological applications such as fuel cells, whereas investigations of hydrated protons at liquid/solid interfaces are scarce. Following our previous work [1] on nanoconfined water between sheets of mackinawite minerals, FeS, which form layer-like superstructures, we address the behavior of hydrated excess protons in this layered material [2]. Even extreme nanoconfinement is shown to not affect the fluxional nature of the topological defect, thus not localizing the excess protons but conserving the efficient structural (Grotthuss) diffusion process known in bulk water. Yet, depending on the width of the slit pore, the defect can bridge the bilayer water structure, thus forcing the excess proton into the water depleted region between the bilayers.
[1] C. Wittekindt and D. Marx, J. Chem. Phys. 137, 054710 (2012).

[2] D. Muñoz-Santiburcio, C. Wittekindt and D. Marx, Nat. Commun. 4:2349 (2013).