Proton wires via one-dimensional water chains adsorbed on metallic steps

Scipioni R, Donadio D, Ghiringhelli LM, Delle Site L (2011)

Publication Type: Journal article

Publication year: 2011

Journal

Journal of Chemical Theory and Computation American Chemical Society

Book Volume: 7

Pages Range: 2681-2684

Journal Issue: 9

DOI: 10.1021/ct200326u

Abstract

The process of proton transfer is here analyzed for one-dimensional water chains adsorbed on metallic steps. When the water chain contains a hydronium and a hydroxyl ion, two different mechanisms are possible, depending on the metal substrate. On coinage metals (Ag, Au), recombination is observed through a spontaneous Grotthuss mechanism. On more reactive surfaces (Pd and Pt), the hydronium ion is unstable and releases a proton that adsorbs onto the metal, leaving the negatively charged OH- unbalanced. In this case, the negative charge can be transferred along the wire with very low activation barriers. © 2011 American Chemical Society.

Authors with CRIS profile

Luca Ghiringhelli

Involved external institutions

Max-Planck-Institut für Polymerforschung (MPI-P) / Max Planck Institute for Polymer Research DE Germany (DE)

How to cite

APA:

Scipioni, R., Donadio, D., Ghiringhelli, L.M., & Delle Site, L. (2011). Proton wires via one-dimensional water chains adsorbed on metallic steps. Journal of Chemical Theory and Computation, 7(9), 2681-2684. https://dx.doi.org/10.1021/ct200326u

MLA:

Scipioni, R., et al. "Proton wires via one-dimensional water chains adsorbed on metallic steps." Journal of Chemical Theory and Computation 7.9 (2011): 2681-2684.

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