Initial stages of water solvation of stepped platinum surfaces

Physical Chemistry Chemical Physics : PCCP
Manuel J KolbMarc T M Koper

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 p...Continue Reading

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Aug 29, 2013·Journal of the American Chemical Society·Hongjiao LiMarc T M Koper
Mar 20, 2014·Physical Chemistry Chemical Physics : PCCP·Aliaksandr S BandarenkaIfan E L Stephens
Apr 10, 2014·The Journal of Chemical Physics·Manuel J KolbMarc T M Koper
Oct 1, 2014·Physical Chemistry Chemical Physics : PCCP·Angela den DunnenLudo B F Juurlink
Oct 15, 2014·Journal of the American Chemical Society·Hongjiao LiFederico Calle-Vallejo

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Citations

Apr 20, 2016·The Journal of Physical Chemistry Letters·Cansin BadanLudo B F Juurlink
May 19, 2017·The Journal of Physical Chemistry Letters·Zheng-Da HeFederico Calle-Vallejo
Apr 30, 2017·Chemical Science·Federico Calle-VallejoJuan M García-Lastra
Jun 3, 2016·Physical Chemistry Chemical Physics : PCCP·Kathleen SchwarzRavishankar Sundararaman
Jul 28, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Laura P Granda-MarulandaFederico Calle-Vallejo
Apr 16, 2016·Physical Review Letters·Manuel J KolbMarc T M Koper
Mar 17, 2018·The Journal of Chemical Physics·Yair LitmanMariana Rossi
Mar 16, 2018·Physical Review Letters·C LinA Hodgson
Feb 29, 2020·The Journal of Physical Chemistry Letters·Nikki GerrardAndrew Hodgson
Oct 30, 2018·Journal of the American Chemical Society·Chenfang LinAndrew Hodgson

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