Jump to main content
Jump to site search

Issue 5, 2016
Previous Article Next Article

Initial stages of water solvation of stepped platinum surfaces

Author affiliations

Abstract

Platinum is an active catalyst for a large number of (electro)chemical reactions in aqueous solution. The observed catalytic activities result from an interplay between the intrinsic adsorption properties of platinum surfaces and their interaction with the aqueous environment. Although water networks have been extensively studied on close-packed surfaces, little is known about high-coverage solvation environments around defects. Here, we report DFT calculations on medium- to high-coverage water adsorption structures near the (100) step edge on Pt(533). We find that isolated ring structures adjacent to step edges form hexagons or pentagons. For higher coverages, 6 possible adsorption structures with varying ring sizes along the step edge and almost identical adsorption energies are observed. From our results we conclude that the favorable interaction of the H-down oriented water molecules, adjacent to the step edge, with the step dipole plays an important role in the formation of these structures. Furthermore, our results explain why water networks on stepped surfaces originate at the step edges, and extend towards the adjacent terraces, in agreement with previous experiments. These results show how step edges act as anchoring points for water adsorption and suggest that solvation of defects might dominate water structures on real platinum surfaces.

Graphical abstract: Initial stages of water solvation of stepped platinum surfaces

Back to tab navigation

Supplementary files

Article information


Submitted
29 Jul 2015
Accepted
20 Aug 2015
First published
21 Aug 2015

This article is Open Access

Phys. Chem. Chem. Phys., 2016,18, 3416-3422
Article type
Paper

Initial stages of water solvation of stepped platinum surfaces

M. J. Kolb, J. Wermink, F. Calle-Vallejo, L. B. F. Juurlink and M. T. M. Koper, Phys. Chem. Chem. Phys., 2016, 18, 3416
DOI: 10.1039/C5CP04468E

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements