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First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

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First-Principles Thermodynamics of CsSnI3

Nicola Marzari, Lorenzo Monacelli

CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...

AMER CHEMICAL SOC2023

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Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

NATURE PORTFOLIO2021

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

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The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic t ...

2020

Like conventional material products, waste is the last stage of the life cycle of engineered nanomaterials, which are then incinerated or stabilized before disposal. However, because of their special physical characteristics, the fate of the thermally trea ...

2020

Point, Plane, Set, Match! Winning the Echo Grand SLAM

Miranda Krekovic

Some of the most important and challenging problems in science are inverse problems. They allow us to understand phenomena that cannot be measured directly. Inverse problems might not always have a unique or stable solution, or might not have any solution ...

EPFL2020

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We develop a membrane technology based on amyloid fibrils to remove aluminium from water and minimize its exposure to humans. We study aluminium adsorption by amyloid fibrils by evaluating the binding isotherms, the thermodynamics and the effects of differ ...

2019

With the help of thermodynamics and system engineering techniques, we will discuss options to make a country like Switzerland 100% renewable and even negative in carbon dioxide emissions. ...

2019

Most syntheses of thiolate-protected metal nanoparticles (NPs) include a thermochemical step in which the as-prepared, polydisperse NPs are transformed to a narrower size distribution in a poorly understood process known as digestive ripening (DR). Previou ...

American Chemical Society2017

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The present work is part of a series of papers aiming at a thorough understanding of the thermodynamics of metabolism over a broad range of external conditions. The focus here is on the systematic study of solvation/hydration of a variety of fluids via an ...

Royal Soc Chemistry2016