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Surface segregation in high-entropy alloys from alchemical machine learning

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Live-cell imaging powered by computation

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

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With growing awareness of the vulnerability of the near-Earth space region and the anticipated surge in satellite objects, efforts are underway to assess and implement various mitigation strategies. These aim to minimize the impact of space activities and ...

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Plasmonic photochemistry has a large potential to replace energy-intensive chemical processes with low-temperature, low-pressure light-driven chemical reactions. Plasmonic nanostructures have emerged as promising photocatalysts with exceptional and tunable ...

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Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...

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Modelling of metal alloys in realistic conditions with machine learning

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Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

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Supported Co-based catalysts exhibit promising catalytic activities in the oxygen evolution reaction (OER) during alkaline water electrolysis. Surface functionalization of the support modulates the dispersion of the catalysts and their interaction with the ...

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Tuning the reactivity of uranium towards small molecules in multimetallic complexes

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One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

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Adsorption of Copper by Naturally and Artificially Aged Polystyrene Microplastics and Subsequent Release in Simulated Gastrointestinal Fluid

Florian Frédéric Vincent Breider, Thibault Béranger Masset, Lu Zhou

2024

Modeling high-entropy transition metal alloys with alchemical compression

Michele Ceriotti, Guillaume André Jean Fraux, Sandip De, Nataliya Lopanitsyna

AMER PHYSICAL SOC2023

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

EPFL2023

Understanding the role of surface oxygen-containing functional groups on carbon-supported cobalt catalysts for the oxygen evolution reaction

Andreas Züttel, Thi Ha My Pham, Kangning Zhao, Youngdon Ko, Liping Zhong, Manhui Wei

Royal Society of Chemistry2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

EPFL2023