ArticleChemical reviews2020
Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation.
Article in Chemical reviews, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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Who cites it
46 citing papers in PubMed.
- Visible light leaves evaporation and interfacial structure of neat water unchanged at the air-water interface.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Searching for a Correlation between Interfacial Liquid Structure and Hydrodynamic Slip: A Case Study of Water/Silica Interface.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- Probing the structure of DFaraday discussions · 2026Article
- Beyond the Active Site: Hydrophobic Microenvironment Engineering for Single-Atom Catalysts.Advanced materials (Deerfield Beach, Fla.) · 2026Review
- Microhydration and Interfacial Activity of Triarylmethane Dyes at the Air-Water Interface.The journal of physical chemistry. B · 2026Article
- Multipolar electric and magnetic contributions to sum-frequency generation spectra reveal biaxial interfacial water structure.Nature communications · 2026Article
- The importance of layer-dependent molecular twisting for the structural anisotropy of interfacial water.Science advances · 2026Article
- Machine-learning enhanced simulations predict graphene is microscopically hydrophobic and not wetting transparent.Nature communications · 2026Article
- Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces.Journal of the American Chemical Society · 2026Article
- Structure and Nonlinear Spectra of the Basal Face of Hexagonal Ice: A Molecular Dynamics Study.Molecules (Basel, Switzerland) · 2025Article
- Resolving Nanoslip, Solvation Inertia, and Charge Dynamics at Vibrating Solid-Liquid Interface.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Tip-enhanced nanocavities amplify the sum frequency generation.Light, science & applications · 2025Article
- Anomalous Water Fluorescence Induced by Solutes.The journal of physical chemistry letters · 2025Article
- Experimental quantification of nuclear quantum effects on the hydrogen bond of liquid water.Science advances · 2025Article
- Accelerated peptide bond formation at air-water interfaces.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning Study.JACS Au · 2025Article
- Mimicking on-water surface synthesis through micellar interfaces.Nature communications · 2024Article
- Revisiting the Thickness of the Air-Water Interface from Two Extremes of Interface Hydrogen Bond Dynamics.Journal of chemical theory and computation · 2024Article
- How Thick is the Air-Water Interface?─A Direct Experimental Measurement of the Decay Length of the Interfacial Structural Anisotropy.Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Basic Theory of Ice Crystallization Based on Water Molecular Structure and Ice Structure.Foods (Basel, Switzerland) · 2024Review
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
From a glass of water to glaciers in Antarctica, water-air and ice-air interfaces are abundant on Earth. Molecular-level structure and dynamics at these interfaces are key for understanding many chemical/physical/atmospheric processes including the slipperiness of ice surfaces, the surface tension of water, and evaporation/sublimation of water. Sum-frequency generation (SFG) spectroscopy is a powerful tool to probe the molecular-level structure of these interfaces because SFG can specifically probe the topmost interfacial water molecules separately from the bulk and is sensitive to molecular conformation. Nevertheless, experimental SFG has several limitations. For example, SFG cannot provide information on the depth of the interface and how the orientation of the molecules varies with distance from the surface. By combining the SFG spectroscopy with simulation techniques, one can directly compare the experimental data with the simulated SFG spectra, allowing us to unveil the molecular-level structure of water-air and ice-air interfaces. Here, we present an overview of the different simulation protocols available for SFG spectra calculations. We systematically compare the SFG spectra computed with different approaches, revealing the advantages and disadvantages of the different methods. Furthermore, we account for the findings through combined SFG experiments and simulations and provide future challenges for SFG experiments and simulations at different aqueous interfaces.
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Registered trials
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