Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface

Donadio D, Ghiringhelli LM, Delle Site L (2012)

Publication Type: Journal article

Publication year: 2012

Journal

Journal of the American Chemical Society American Chemical Society

Book Volume: 134

Pages Range: 19217-19222

Journal Issue: 46

DOI: 10.1021/ja308899g

Abstract

Water-metal interfaces are ubiquitous and play a key role in many chemical processes, from catalysis to corrosion. Whereas water adlayers on atomically flat transition metal surfaces have been investigated in depth, little is known about the chemistry of water on stepped surfaces, commonly occurring in realistic situations. Using first-principles simulations, we study the adsorption of water on a stepped platinum surface. We find that water adsorbs preferentially at the step edge, forming linear clusters or chains, stabilized by the cooperative effect of chemical bonds with the substrate and hydrogen bonds. In contrast with their behavior on flat Pt, at steps water molecules dissociate, forming mixed hydroxyl/water structures, through an autocatalytic mechanism promoted by H-bonding. Nuclear quantum effects contribute to stabilize partially dissociated cluster and chains. Together with the recently demonstrated behavior of water chains adsorbed on stepped Pt surfaces to transfer protons via thermally activated hopping, these findings make these systems viable candidates for proton wires. © 2012 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) Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI) DE Germany (DE) Freie Universität Berlin DE Germany (DE)

How to cite

APA:

Donadio, D., Ghiringhelli, L.M., & Delle Site, L. (2012). Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface. Journal of the American Chemical Society, 134(46), 19217-19222. https://doi.org/10.1021/ja308899g

MLA:

Donadio, Davide, Luca M. Ghiringhelli, and Luigi Delle Site. "Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface." Journal of the American Chemical Society 134.46 (2012): 19217-19222.

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