HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments
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In this manuscript we describe the realization of a minimal hybrid microswimmer, composed of a ferromagnetic nanorod and a paramagnetic microsphere. The unbounded pair is propelled in water upon application of a swinging magnetic field that induces a perio ...
ROYAL SOC CHEMISTRY2020
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Lake Geneva, the largest freshwater lake in Western Europe, is subject to important environmental pressures from its densely populated shores and watershed. To maintain and improve water quality in this lake, as well as in other enclosed or semi‐enclosed b ...
2019
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The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...
Cambridge2024
Supercritical water is used in a variety of chemical and industrial applications. As a consequence, a detailed knowledge of the structure-properties correlations is of uttermost importance. Although supercritical water was considered as a homogeneous fluid ...
2019
The ability to evaluate stream hydrochemistry is often constrained by the capacity to sample streamwater at an adequate frequency. While technology is no longer a limiting factor, costs and sample management can still be a barrier to high-resolution water ...
Amer Chemical Soc2017
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The temperature dependence of the femtosecond elastic second harmonic scattering (fs-ESHS) response of bulk light and heavy water and their electrolyte solutions is presented. We observe clear temperature dependent changes in the hydrogen (H)-bond network ...
2018
Water has been foreseen to be the cause of the next great global crisis. India has 18% of the world population but only 4% of the world’s water resources. This brings us to the important issue that India may lack overall long-term availability of replenish ...
Paul Scherrer Institute, World Resources Forum2019
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The surface of a biomaterial can play a major role in its biological fate since the surface is the primary pathway for its interaction with the body. As the natural response of the body to a foreign material is to encapsulate it with a fibrous material, th ...
2018
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The surface of a biomaterial can play a major role in its biological fate since the surface is the primary pathway for its interaction with the body. As the natural response of the body to a foreign material is to encapsulate it with a fibrous material, th ...
The interface between water and folded proteins is very complex. Proteins have "patchy" solvent-accessible areas composed of domains of varying hydrophobicity. The textbook understanding is that these domains contribute additively to interfacial properties ...
