ArticleAngewandte Chemie (International ed. in English)2025
Electronic Response and Charge Inversion at Polarized Gold Electrode.
Article in Angewandte Chemie (International ed. in English), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Electrotunable Kapitza Resistance at Electrode-Water Interfaces: The Importance of Electrode Metallicity.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- Article
- Probing electrical double layer via triboelectric charge transfer.Nature communications · 2025Article
- Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior.Journal of the American Chemical Society · 2025Article
- PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems.Journal of chemical theory and computation · 2025Article
- Electronic Response and Charge Inversion at Polarized Gold Electrode.Angewandte Chemie (International ed. in English) · 2025Article
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Authors and funding
4 authors.
Funding
Abstract
We have studied polarized Au(100) and Au(111) electrodes immersed in electrolyte solution by implementing finite-field methods in density functional theory-based molecular dynamics simulations. This allows us to directly compute the Helmholtz capacitance of electric double layer by including both electronic and ionic degrees of freedom, and the results turn out to be in excellent agreement with experiments. It is found that the electronic response of Au electrode makes a crucial contribution to the high Helmholtz capacitance and the instantaneous adsorption of Cl can lead to a charge inversion on the anodic polarized Au(100) surface. These findings point out ways to improve popular semi-classical models for simulating electrified solid-liquid interfaces and to identify the nature of surface charges therein which are difficult to access in experiments.
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