Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation
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 …
on Earth. Molecular-level structure and dynamics at these interfaces are key for …
Is unified understanding of vibrational coupling of water possible? Hyper-Raman measurement and machine learning spectra
The impact of the vibrational coupling of the OH stretch mode on the spectra differs
significantly between IR and Raman spectra of water. Unified understanding of the …
significantly between IR and Raman spectra of water. Unified understanding of the …
Molecular fingerprints of hydrophobicity at aqueous interfaces from theory and vibrational spectroscopies
Hydrophobicity/hydrophilicity of aqueous interfaces at the molecular level results from a
subtle balance in the water–water and water–surface interactions. This is characterized here …
subtle balance in the water–water and water–surface interactions. This is characterized here …
[HTML][HTML] On the Fresnel factor correction of sum-frequency generation spectra of interfacial water
Insights into the microscopic structure of aqueous interfaces are essential for understanding
the chemical and physical processes on the water surface, including chemical synthesis …
the chemical and physical processes on the water surface, including chemical synthesis …
Fully first-principles surface spectroscopy with machine learning
Our current understanding of the structure and dynamics of aqueous interfaces at the
molecular level has grown substantially due to the continuous development of surface …
molecular level has grown substantially due to the continuous development of surface …
The structure of water in silica mesopores–Influence of the pore wall polarity
C Weinberger, F Zysk, M Hartmann… - Advanced Materials …, 2022 - Wiley Online Library
In the spatial confinement of cylindrical mesopores with diameters of a few nanometers,
water molecules experience restrictions in hydrogen bonding. This leads to a different …
water molecules experience restrictions in hydrogen bonding. This leads to a different …
Characterizing interfaces by Voronoi tessellation
D Konstantinovsky, ECY Yan… - The Journal of …, 2023 - ACS Publications
The chemistry of interfaces differs markedly from that of the bulk. Calculation of interfacial
properties depends strongly on the definition of the interface, which can lead to ambiguous …
properties depends strongly on the definition of the interface, which can lead to ambiguous …
Mimicking on-water surface synthesis through micellar interfaces
The chemistry of the on-water surface, characterized by enhanced reactivity, distinct
selectivity, and confined reaction geometry, offers significant potential for chemical and …
selectivity, and confined reaction geometry, offers significant potential for chemical and …
Influence of the hydrogen-bonding environment on vibrational coupling in the electrical double layer at the silica/aqueous interface
Vibrational spectroscopy is a powerful tool for determining the local hydrogen-bonding
environment. However, vibrational coupling present in H2O makes it difficult to relate …
environment. However, vibrational coupling present in H2O makes it difficult to relate …
Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface
Vibrational sum-frequency generation spectroscopy is a powerful method to study the
microscopic structure and dynamics of interfacial systems. Here we demonstrate a simple …
microscopic structure and dynamics of interfacial systems. Here we demonstrate a simple …