Quantum-state-controlled channel branching in cold Ne(3P2)+Ar chemi-ionization

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CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

Direct observation of exchange anisotropy in the helimagnetic insulator Cu2OSeO3

Arnaud Magrez, Jonathan White, Priya Ranjan Baral

The helical magnetic structures of cubic chiral systems are well explained by the competition among Heisen-berg exchange, Dzyaloshinskii-Moriya interaction, cubic anisotropy, and anisotropic exchange interaction (AEI). Recently, the role of the latter has ...

AMER PHYSICAL SOC2023

Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors

Anna Fontcuberta i Morral, Mirjana Dimitrievska, Elias Zsolt Stutz, Santhanu Panikar Ramanandan, Andrea Giunto

Barium zirconium sulfide (BaZrS3) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable sol ...

IOP Publishing Ltd2023

Spin Textures in 2D Magnets

Lukas Powalla

The continuous reduction of the structural size in nanotechnology slowed down over the last decade, approaching the natural limit of single atoms as building blocks of matter. Therefore, intensive research is directed toward exploring new frontiers, in par ...

EPFL2023

Modeling and analysis of miniaturized magnetorheological valve for fluidic actuation

Sofia Lydia Ntella

Fluidic actuation enables movement in a wide range of mechanical systems, from simple laboratory devices to more complex industrial machinery. Fluids are used to generate motion of mechanical pieces. The term "fluids" encompasses two types of technologies: ...

EPFL2023

Operando identification of a side-on nickel superoxide intermediate and the mechanism of oxygen evolution on nickel oxyhydroxide

Xile Hu, Lichen Bai, Seunghwa Lee

The oxygen evolution reaction (OER) is a key electrochemical reac-tion relevant to energy storage. Ni-containing bimetallic oxyhydrox-ides are among the most active OER catalysts in alkaline medium, but the mechanism of OER on pure Ni oxyhydroxide remains ...

ELSEVIER2023

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

Pierre Gönczy, Niccolo Banterle

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

AIP Publishing2023

Kinetic Network Modeling of the Catalytic Upgrading of Biomass's Acetate Fraction to Aromatics

Jeremy Luterbacher, Jher Hau Yeap, Bartosz Rozmyslowicz

The acetate fraction is the fourth most abundant fraction by weight in many plant species and can be easily extracted as acetic acid in high yields. We have previously shown that acetic acid obtained from steam pretreated beech wood could be upgraded in a ...

Amer Chemical Soc2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

David Daniel Girardier, Fabio Pietrucci, Sara Bonella

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Harmina Vejayan

In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...

EPFL2023