ArticleJournal of the American Chemical Society2025
Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior.
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 6 papers.
What it found
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Who cites it
6 citing papers in PubMed.
- Nanomaterials Electrochemistry: Insights for Materials Scientists and Electrochemists.ACS nano · 2026Article
- Optimizing Intermediate Adsorption Through Frustrated Electron Transfer Strategy for Enhanced NO Reduction to Ammonia.Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Electrotunable Kapitza Resistance at Electrode-Water Interfaces: The Importance of Electrode Metallicity.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces.Journal of chemical theory and computation · 2026Article
- User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces.Journal of chemical theory and computation · 2026Article
- Pressure and bias dependence of the rate-limiting steps of the oxygen reduction reaction.Nature communications · 2025Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We investigate the electronic and molecular properties of the electrified Pt(111)-water interface using molecular dynamics simulations, leveraging electronic-structure-aware density-functional theory (DFT) and classical force field approaches. Electrification is induced by introducing excess electrons with homogeneously distributed, nonionic counter-charges, allowing for a targeted analysis of electronic and water density responses without interference from electrolyte ions. Our results reveal that, within the DFT framework, the Pt(111)-water interface deviates from the classical picture, where excess electronic charge remains localized at the metallic surface. Instead, approximately 30-40% of the electronic excess charge density penetrates into the interfacial water region─a behavior that is absent in vacuum conditions or when using classical force fields. This redistribution of charge provides a compelling explanation for long-standing discrepancies in the modeling of this interface, including the stabilization of partially charged interfacial species such as H
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Registered trials
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