ArticleACS central science2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces.
Article in ACS central science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
17 citing papers in PubMed, 53 citations in OpenAlex.
- Fractional charge density functional theory elucidates electro-inductive and electric field effects at electrochemical interfaces.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Integrating Physical Principles with Machine Learning for Predicting Field-Enhanced Catalysis.JACS Au · 2025Article
- The Impact of Electric Fields on Processes at Electrode Interfaces.Chemical reviews · 2025Review
- Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile.The Journal of chemical physics · 2024Article
- The hydrogen-bonding dynamics of water to a nitrile-functionalized electrode is modulated by voltage according to ultrafast 2D IR spectroscopy.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Development and Characterization of Electrodes for Surface-Specific Attenuated Total Reflection Two-Dimensional Infrared Spectroelectrochemistry.The journal of physical chemistry. C, Nanomaterials and interfaces · 2023Article
- Phenol as a Tethering Group to Gold Surfaces: Stark Response and Comparison to Benzenethiol.The journal of physical chemistry letters · 2023Article
- Voltage-Dependent FTIR and 2D Infrared Spectroscopies within the Electric Double Layer Using a Plasmonic and Conductive Electrode.The journal of physical chemistry. B · 2023Article
- Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces.Chemical science · 2022Article
- Electrolyte Cation Effects on Interfacial Acidity and Electric Fields.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- The Solvation-Induced Onsager Reaction Field Rather than the Double-Layer Field Controls COJACS Au · 2022Article
- Vibrational Stark shift spectroscopy of catalysts under the influence of electric fields at electrode-solution interfaces.Chemical science · 2021Review
- Interfacial Acid-Base Equilibria and Electric Fields Concurrently Probed byJournal of the American Chemical Society · 2021Article
- Spontaneous Electric Fields Play a Key Role in Thermochemical Catalysis at Metal-Liquid Interfaces.ACS central science · 2021Article
- Effects of applied voltage on water at a gold electrode interface fromChemical science · 2021Article
- Dependency of solvation effects on metal identity in surface reactions.Communications chemistry · 2020Article
- Discrete Helmholtz model: a single layer of correlated counter-ions. Metal oxides and silica interfaces, ion-exchange and biological membranes.Chemical science · 2020Review
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Electric fields control chemical reactivity in a wide range of systems, including enzymes and electrochemical interfaces. Characterizing the electric fields at electrode-solution interfaces is critical for understanding heterogeneous catalysis and associated energy conversion processes. To address this challenge, recent experiments have probed the response of the nitrile stretching frequency of 4-mercaptobenzonitrile (4-MBN) attached to a gold electrode to changes in the solvent and applied electrode potential. Herein, this system is modeled with periodic density functional theory using a multilayer dielectric continuum treatment of the solvent and at constant applied potentials. The impact of the solvent dielectric constant and the applied electrode potential on the nitrile stretching frequency computed with a grid-based method is in qualitative agreement with the experimental data. In addition, the interfacial electrostatic potentials and electric fields as a function of applied potential were calculated directly with density functional theory. Substantial spatial inhomogeneity of the interfacial electric fields was observed, including oscillations in the region of the molecular probe attached to the electrode. These simulations highlight the microscopic inhomogeneity of the electric fields and the role of molecular polarizability at electrode-solution interfaces, thereby demonstrating the limitations of mean-field models and providing insights relevant to the interpretation of vibrational Stark effect experiments.
Identifiers
What OpenQuestion holds
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.