Is the water/Pt(111) interface ordered at room temperature?

• Published in: The Journal of chemical physics Vol. 155; no. 22; pp. 224701 - 224708
• Main Authors: Mikkelsen, August E. G., Schiøtz, Jakob, Vegge, Tejs, Jacobsen, Karsten W.
• Format: Journal Article
• Language: English
• Published: United States American Institute of Physics 14.12.2021
• Subjects: Adsorption; Hydrogen bonds; Molecular dynamics; Molecular structure; Neural networks; Room temperature; Water chemistry

The structure of the water/Pt(111) interface has been a subject of debate over the past decades. Here, we report the results of a room temperature molecular dynamics study based on neural network potentials, which allow us to access long time scale simulations while retaining ab initio accuracy. We...