Berlin 2018 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 59: Solid-liquid interfaces: Reactions and electrochemisty IV (joint session O/CPP)
CPP 59.5: Vortrag
Mittwoch, 14. März 2018, 17:45–18:00, MA 144
On the enhanced self-dissociation of water by bidimensional nanoconfinement — •Daniel Muñoz-Santiburcio1,2 and Dominik Marx2 — 1CIC nanoGUNE, Tolosa Hiribidea 76, 20018 San Sebastián, Spain — 2Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany
Nanoconfined liquids present strikingly different properties compared to the bulk regime. Water in particular is the subject of intense investigation, and in previous works we described how nanoconfinement affects the mechanisms and energetics of chemical reactions therein [1] and also the peculiar differences between the structural diffusion mechanism of H+(aq) and OH−(aq) compared to the bulk [2,3]. Now, we present interesting results of advanced ab initio simulations which show how bidimensional nanoconfinement enhances one of the most important reactions in water, namely the self-dissociation of H2O(aq) into H+(aq) and OH−(aq) [4]. This surprising feature goes hand in hand with the enhancement of the parallel component of the dielectric constant tensor of the nanoconfined water layer.
[1] D. Muñoz-Santiburcio and D. Marx, Chem. Sci. 8 (5), 3444-3452 (2017).
[2] D. Muñoz-Santiburcio and D. Marx, Nat. Commun. 7, 12625 (2016)
[3] D. Muñoz-Santiburcio, C. Wittekindt and D. Marx, Nat. Commun. 4, 2349 (2013)
[4] D. Muñoz-Santiburcio and D. Marx, Phys. Rev. Lett. 119, 056002 (2017).