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January 23, 2026ACS Omega0 citationsOpen Access

Platinum/Cation Interactions in Alkaline Media Observed by Constant Potential Molecular Dynamics

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JWJules WolffACA. ChaumontLRLaurent Ruhlmann

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Abstract

) at a distance <1 nm from the electrode. Not only said distribution is influenced, but also the solvation of cations, and the mobility and orientation of water molecules. Ultimately, this work (i) presents a new application of the MetalWalls software for technologies that are of great relevance nowadays and (ii) discusses from a computational standpoint the layered influence of the nature of the cation onto properties of the Pt(100)/electrolyte interface in alkaline media.

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Wolff et al. (2026) studied this question.

synapsesocial.com/papers/6a0876ea3d5e33e4691088f3https://doi.org/10.1021/acsomega.5c07205
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