Publication

Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role

Related publications (29)

Wetting Dynamics Beneath an Impacting Droplet

Many natural and industrial processes involve fluid flow at a three phase interface between liquid, solid and gas. When the liquid is forced to move rapidly over the solid surface, the physical mechanisms governing contact line motions are multi-phase and ...

EPFL2023

Updates on Hydrogen Value Chain: A Strategic Roadmap

Michael Graetzel, Dan Ren

A strategic roadmap for noncarbonized fuels is a global priority, and the reduction of carbon dioxide emissions is a key focus of the Paris Agreement to mitigate the effects of rising temperatures. In this context, hydrogen is a promising noncarbonized fue ...

WILEY-V C H VERLAG GMBH2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Advancing first principle-based molecular dynamics of biological systems with machine learning

François Louis Mouvet

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

Aleksandra Radenovic, Andrei Kiselev, Roman Doronin, Vasily Artemov

The surface charge of an open water surface is crucialfor solvationphenomena and interfacial processes in aqueous systems. However, themagnitude of the charge is controversial, and the physical mechanismof charging remains incompletely understood. Here we ...

AMER CHEMICAL SOC2023

The Effect of Y Content on Structural and Sorption Properties of A(2)B(7)-Type Phase in the La-Y-Ni-Al-Mn System

Loris Giovanni Lombardo, Andreas Züttel

Metal hydrides are an interesting group of chemical compounds, able to store hydrogen in a reversible, compact and safe manner. Among them, A(2)B(7)-type intermetallic alloys based on La-Mg-Ni have attracted particular attention due to their high electroch ...

MDPI2023

Lab-Scale Investigation of the Integrated Backup/Storage System for Wind Turbines Using Alkaline Electrolyzer

Jan Van Herle, Hossein Pourrahmani

The depletion of fossil fuel sources has encouraged the authorities to use renewable resources such as wind energy to generate electricity. A backup/storage system can improve the performance of wind turbines, due to fluctuations in power demand. The novel ...

MDPI2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Harmina Vejayan, Mateusz Suchodol

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023