Journal of the American Chemical Society· 2026Q1
Noncovalent Metal–Water Polarization Governs Helmholtz Capacitance
- 1citations
- Q1SCImago
- 2026year
Short summary
Ab initio molecular dynamics simulations reveal that metal-dependent Helmholtz capacitance at electrified metal-water interfaces is primarily governed by the electrode-side electronic response, specifically the effective electron spillover length.
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Key points
- Helmholtz capacitance at electrified metal-water interfaces is metal-dependent.
- Ab initio molecular dynamics simulations explain the origin of this capacitance trend.
- The electrode-side electronic response controls effective electron spillover length, governing bias capacitance.
- The findings are predictive for cross-geometry Pt/Au systems.
AI-generated from the title and abstract; the full text is not read.
Abstract
Abstract Electrified metal–water interfaces govern charge storage and electrochemical reactivity, yet the microscopic origin of their metal-dependent Helmholtz capacitance has remained unresolved. Here, we use extensive density functional theory-based ab initio molecular dynamics simulations to reproduce and explain the long-established experimental capacitance trend at fcc(111) metal–water interfaces. We show that this trend is governed primarily by the electrode-side electronic response of the explicit metal–water interface, which controls the effective electron spillover length and, hence, the bias capacitance. This relation remains predictive for cross-geometry Pt/Au systems. Our findings clarify the microscopic origin of metal-dependent Helmholtz capacitance and suggest a physically grounded design principle for electrode materials in sustainable-energy technologies.
The authors' abstract, as published at the source. Journal of the American Chemical Society, 2026 · DOI ↗
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Field: Renewable Energy, Sustainability and the Environment
Renewable Energy, Sustainability and the EnvironmentEnergy