<i>Ab initio</i> molecular dynamics investigation of the Pt(111)–water interface structure in an alkaline environment with high surface OH-coverages-Reference-Cited by-同舟云学术

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Ab initio molecular dynamics investigation of the Pt(111)–water interface structure in an alkaline environment with high surface OH-coverages

Published:2024 Issue:26 Volume:26 Page:18233-18243
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Partanen Lauri¹^ORCID,Laasonen Kari¹^ORCID

Affiliation:

1. Department of Chemistry and Materials Science, Aalto University, P.O. Box 16100, FI-00076 Aalto, Finland

Abstract

OH and H2O species prefer the top sites of the 1/3 and 2/3 OH monolayer Pt(111) surface while O atoms prefer the hollow sites. The surfaces possess a dynamic hydrogen bond network with water exchange between the surface and the solvent.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01100G

Reference89 articles.

1. Alkaline fuel cell technology - A review

2. Kinetics of Oxygen Reduction on Pt(hkl) Electrodes: Implications for the Crystallite Size Effect with Supported Pt Electrocatalysts

3. Kinetics of the photocatalytic water-splitting reaction on TiO2 and Pt/TiO2 studied by time-resolved infrared absorption spectroscopy

4. Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption

5. Effects of Adsorbed OH on Pt(100)/Water Interfacial Structures and Potential

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