ArticleJournal of the American Chemical Society2025
Entropy Governs the Structure and Reactivity of Water Dissociation Under Electric Fields.
Article in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Confinement-Engineered Ir-IrOAdvanced materials (Deerfield Beach, Fla.) · 2026Article
- The Water Behavior Chain: A Unified Framework for Solar Interfacial Evaporation.Advanced materials (Deerfield Beach, Fla.) · 2026Review
- Nanoconfinement drives water ordering.National science review · 2026Article
- How reactive is water at the nanoscale and how to control it?Science advances · 2026Article
- Regulation of HNature communications · 2026Article
- Sub-diffractional infrared absorption of two-dimensional water.Nature communications · 2026Article
- Unlocking Li‒S chemistry via acoustic-induced entropy-driven electrolyte.Nature communications · 2026Article
- The role of interfacial excess charge in the reversibility of proton and hydroxide solvation in electrocatalysis and bipolar membranes.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Disentangling the Janus-faced effects of cations in electrocatalysis.Nature communications · 2026Article
- Transition from Vehicular to Structural Ionic Transport in Electrified Alkali Aqueous Solutions.The journal of physical chemistry. B · 2026Article
- Clay Edges Are Dynamic Proton-Conducting Networks Modulated by Structure and pH.The journal of physical chemistry letters · 2026Article
- Article
- Reevaluating Anomalous Electric Fields at the Air-Water Interface: A Surface-Specific Spectroscopic Survey.Journal of the American Chemical Society · 2025Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The response of water to electric fields is critical to the performance and stability of electrochemical devices, and the selectivity of enzymatic, atmospheric, and organic reactions. A key process in this context is the water (auto)dissociation reaction (WD), which governs acid-base aqueous chemistry and shapes reaction rates and mechanisms. Despite its significance, the thermodynamics of the WD reaction in electrified environments remains poorly understood. Here, we investigate the WD reaction under external electric fields using ab initio molecular dynamics simulations within the framework of the modern theory of polarization. Our results reveal that strong electric fields dramatically enhance the WD reaction, increasing the equilibrium constant by several orders of magnitude. Moreover, we show that the applied field transforms the WD reaction from an entropically hindered process to an entropy-driven one. Analysis shows that this is because the electric field alters the tendency of ions to be structure makers or structure breakers. By highlighting how strong electric fields reshape solvent organization and reactivity, this work opens new avenues for designing aqueous electro-catalysts that leverage solvent entropy to enhance their performance.
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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.