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Stripping off of the Hydration Shells in the Double Layer Formation: Water Networks Matter

preprint
submitted on 05.02.2021, 13:49 and posted on 09.02.2021, 12:38 by Serena Rosa Alfarano, Simone Pezzotti, Christopher Stein, Zhou Lin, federico sebastiani, Sarah Funke, Katja Mauelshagen, Claudius Hoberg, Inga kolling, Chun Yu Ma, T Ockelmann, G. Schwaab, Li Fu, JB brubach, roy pascale, Martin Head-Gordon, Marie-Pierre Gaigeot, Kristina Tschulik, martina havenith

The double layer at the solid/electrolyte interface is a key concept in electrochemistry. Here, we present an experimental study combined with simulations, which provides a molecular picture of the double-layer formation in operando processes. By THz spectroscopy we are able to follow the stripping off of the cation/anion hydration shells for a NaCl electrolyte at the Au surface when decreasing/increasing the bias potential. While Na+ is attracted toward the electrode already at the smallest applied negative potentials, stripping-off of the Cl- hydration shell is observed only at higher potential values. These phenomena are directly measured by in operando THz spectroscopy with ultra-bright synchrotron light as a source and rationalized by accompanying molecular-dynamics simulations and electronic-structure calculations.

History

Email Address of Submitting Author

martina.havenith@rub.de

Institution

Ruhr Universität Bochum

Country

Germany

ORCID For Submitting Author

0000-0001-8475-5037

Declaration of Conflict of Interest

The authors declare no competing interests

Version Notes

Submitted version

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