ArticleACS nano2025
Protons Accumulate at the Graphene-Water Interface.
Article in ACS nano, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
What it found
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Who cites it
10 citing papers in PubMed.
- When is nanoconfined water different from interfacial water?Faraday discussions · 2026Article
- How reactive is water at the nanoscale and how to control it?Science advances · 2026Article
- Short-Range Machine-Learning Potentials for Aqueous Electrolyte Solutions.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- Water self-dissociation in slit pores displays non-monotonic behavior as a function of water filling.Chemical science · 2026Article
- Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces.Journal of the American Chemical Society · 2026Article
- Clay Edges Are Dynamic Proton-Conducting Networks Modulated by Structure and pH.The journal of physical chemistry letters · 2026Article
- Entropy Governs the Structure and Reactivity of Water Dissociation Under Electric Fields.Journal of the American Chemical Society · 2025Article
- Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.Journal of the American Chemical Society · 2025Article
- Protons Accumulate at the Graphene-Water Interface.ACS nano · 2025Article
- Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Water's ability to autoionize into hydroxide and hydronium ions profoundly influences surface properties, rendering interfaces either basic or acidic. While it is well-established that protons show an affinity to the air-water interface, a critical knowledge gap exists in technologically relevant surfaces like the graphene-water interface. Here we use machine learning-based simulations with first-principles accuracy to unravel the behavior of hydroxide and hydronium ions at the graphene-water interface. Our findings reveal that protons accumulate at the graphene-water interface, with the hydronium ion predominantly residing in the first contact layer of water. In contrast, the hydroxide ion exhibits a bimodal distribution, found both near the surface and further away from it. Analysis of the underlying electronic structure reveals local polarization effects, resulting in counterintuitive charge rearrangement. Proton propensity to the graphene-water interface challenges the interpretation of surface experiments and is expected to have far-reaching consequences for ion conductivity, interfacial reactivity, and proton-mediated processes.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.