Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation

F Tang, T Ohto, S Sun, JR Rouxel, S Imoto… - Chemical …, 2020 - ACS Publications
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 …

The bending mode of water: a powerful probe for hydrogen bond structure of aqueous systems

T Seki, KY Chiang, CC Yu, X Yu, M Okuno… - The journal of …, 2020 - ACS Publications
Insights into the microscopic structure and dynamics of the water's hydrogen-bonded
network are crucial to understand the role of water in biology, atmospheric and geochemical …

Investigations of water/oxide interfaces by molecular dynamics simulations

R Wang, ML Klein, V Carnevale… - Wiley Interdisciplinary …, 2021 - Wiley Online Library
Water/oxide interfaces are ubiquitous on earth and show significant influence on many
chemical processes. For example, understanding water and solute adsorption as well as …

Water Structure in the First Layers on TiO2: A Key Factor for Boosting Solar-Driven Water-Splitting Performances

R Verduci, F Creazzo, F Tavella, S Abate… - Journal of the …, 2024 - ACS Publications
The water hydrogen-bonded network is strongly perturbed in the first layers in contact with
the semiconductor surface. Even though this aspect influences the outer-sphere electron …

Progress in phase-sensitive sum frequency generation spectroscopy

S Yamaguchi, T Otosu - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Sum frequency generation (SFG) spectroscopy is a unique and powerful tool for
investigating surfaces and interfaces at the molecular level. Phase-sensitive SFG (PS-SFG) …

Hydrogen Adsorption at the Au/TiO2 Interface: Quantitative Determination and Spectroscopic Signature of the Reactive Interface Hydroxyl Groups at the Active Site

A Mahdavi-Shakib, LC Rich, TN Whittaker… - Acs …, 2021 - ACS Publications
Infrared spectroscopy shows that H2 adsorbs heterolytically at the metal–support interface
(MSI) of Au/TiO2 catalysts. This generates stable protonated MSI hydroxyls, which are …

Disentangling sum-frequency generation spectra of the water bending mode at charged aqueous interfaces

T Seki, CC Yu, KY Chiang, J Tan, S Sun… - The Journal of …, 2021 - ACS Publications
The origin of the sum-frequency generation (SFG) signal of the water bending mode has
been controversially debated in the past decade. Unveiling the origin of the signal is …

Dual-beam photothermal spectroscopy employing a Mach–Zehnder interferometer and an external cavity quantum cascade laser for detection of water traces in …

G Ricchiuti, A Dabrowska, D Pinto, G Ramer… - Analytical …, 2022 - ACS Publications
We report on a mid-infrared (mid-IR) photothermal spectrometer for liquid-phase samples for
the detection of water in organic solvents, such as ethanol or chloroform, and in complex …

Anomalously high proton conduction of interfacial water

VG Artemov, E Uykur, PO Kapralov… - The Journal of …, 2020 - ACS Publications
Water at the solid–liquid interface exhibits an anomalous ionic conductivity and dielectric
constant compared to bulk water. Both phenomena still lack a detailed understanding. Here …

Water Dimer under Electric Fields: An Ab Initio Investigation up to Quantum Accuracy

MF Torre, A Amadeo, G Cassone… - The Journal of …, 2024 - ACS Publications
It is well-established that strong electric fields (EFs) can align water dipoles, partially order
the H-bond network of liquid water, and induce water splitting and proton transfers. To …