ArticleSurface science reports2020
The electrochemical interface in first-principles calculations.
Article in Surface science reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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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.
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Who cites it
17 citing papers in PubMed.
- From Experiment-Driven to Theory- and Data-Driven: A Computational Paradigm Shift in High-Entropy Electrocatalyst Design.Advanced materials (Deerfield Beach, Fla.) · 2026Review
- Bifunctional Electrocatalysts with High-Entropy Alloys: Bridging Hydrogen Evolution and Oxygen Reduction.Chemistry of materials : a publication of the American Chemical Society · 2026Review
- Oxygen-Vacancy-Induced Electronic Structure Modulation in ZnTiOInternational journal of molecular sciences · 2026Article
- Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice.Small methods · 2026Review
- The Role of Surface Science in Electrocatalysis.ACS catalysis · 2026Review
- Density-Potential Functional Theoretic (DPFT) Schemes of Modeling Reactive Solid-Liquid Interfaces.ACS physical chemistry Au · 2025Article
- Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition.ACS electrochemistry · 2025Review
- A grand canonical study of the potential dependence of nitrate adsorption and dissociation across metals and dilute alloys.Communications chemistry · 2025Article
- Cation effects on COScience advances · 2025Article
- Incorporating Electrolyte Correlation Effects into Variational Models of Electrochemical Interfaces.The journal of physical chemistry letters · 2024Article
- Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions.Journal of chemical theory and computation · 2023Article
- Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface.Chemical reviews · 2022Review
- Implicit Solvation Methods for Catalysis at Electrified Interfaces.Chemical reviews · 2022Review
- The Impact of the Surface Modification on Tin-Doped Indium Oxide Nanocomposite Properties.Nanomaterials (Basel, Switzerland) · 2022Review
- Structure and dynamics of nanoconfined water and aqueous solutions.The European physical journal. E, Soft matter · 2021Review
- Resolving the Geometry/Charge Puzzle of the c(2 × 2)-Cl Cu(100) Electrode.The journal of physical chemistry letters · 2021Article
- A few basic concepts in electrochemical carbon dioxide reduction.Nature communications · 2020Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
First-principles predictions play an important role in understanding chemistry at the electrochemical interface. Electronic structure calculations are straightforward for vacuum interfaces, but do not easily account for the interfacial fields and solvation that fundamentally change the nature of electrochemical reactions. Prevalent techniques for first-principles prediction of electrochemical processes range from expensive explicit solvation using
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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.