Publications associées à Élément chimique

Machine learning models for prediction of electrochemical properties in supercapacitor electrodes using MXene and graphene nanoplatelets

Herein, machine learning (ML) models using multiple linear regression (MLR), support vector regression (SVR), random forest (RF) and artificial neural network (ANN) are developed and compared to predict the output features viz. specific capacitance (Csp), ...

Elsevier Science Sa2024

On the origin of globular clusters in a hierarchical universe

Michaela Hirschmann

We present an end-to-end description of the formation of globular clusters (GCs) combining a treatment for their formation and dynamical evolution within galaxy haloes with a state-of-the-art semi-analytic simulation of galaxy formation. Our approach allow ...

2024

Functionalization of harmonic nanoparticles for drug release and multimodal imaging applications

Adrian Stefan Gheata

Cancer is among the leading causes of death worldwide, and as knowledge of the disease continues to grow there is an increasing interest towards precision medicine: more specifically towards the theranostics field, i.e the development of targeted molecular ...

EPFL2024

Composition and Element Distribution Mapping of γ′ and γ" Phases of Inconel 718 by High-Resolution Scanning Transmission Electron Microscopy and X-ray Energy-Dispersive Spectrometry

Philippe Buffat

The main strengthening mechanism for Inconel 718 (IN718), a Ni-based superalloy, is precipitation hardening by gamma ' and gamma '' particles. It is thus essential, for good alloy performance, that precipitates with the desired chemical composition have ad ...

MDPI2024

GeSn as next-generation material for short-wave infrared single-photon detection

Andrea Giunto

In recent years, the automotive industry has aspired to bring self-driving vehicles to the general public and light detection and ranging (LiDAR) sensors have emerged as the preferred solution for car vision systems. At present, LiDAR technologies employ e ...

EPFL2023

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

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 ...

EPFL2023

Synthesis, isolation and application of a sila-ketenyl anion

Rosario Scopelliti, Shiori Fujimori

Ynolates or ketenyl anions, [RCCO]-, are negatively charged reactive intermediates, which can be generated in situ and used for divergent chemical transformations. Ynolates can react either at the oxygen or carbon centres or across the C-C triple bond, mak ...

Springernature2023

One-pot synthesis of functionalized bis(trifluoromethylated)benziodoxoles from iodine(i) precursors

Jérôme Waser, Xingyu Liu, Nieves Pilar Ramirez Hernandez, Tobias Michael Milzarek

Bis(trifluoromethylated)benziodoxoles (Bx) are broadly used cyclic hypervalent iodine reagents due to their stability and unique chemical properties. However, current methods to access them require several steps and long reaction times, making their synthe ...

Royal Society of Chemistry2023

Bacterial inactivation in sunlit surface waters is dominated by reactive species that emanate from the synergy between light, iron, and natural organic matter

César Pulgarin, Stefanos Giannakis, Jun Ma, Da Wang, Shuang Song

In this study, the synergistic and antagonistic effects of Fe species and coexisting natural organic matter (NOM) on the efficacy of solar light disinfection of water are investigated. Different initial iron species (Fe2+/Fe3+) and naturalorganic matter ty ...

Elsevier2023

Analysis of accretion disc structure and stability using open code for vertical structure

Pascale Jablonka

Detailed chemical abundances of very metal-poor (VMP; [Fe/H] < -2) stars are important for better understanding the first stars, early star formation, and chemical enrichment of galaxies. Big on-going and coming high-resolution spectroscopic surveys provid ...

OXFORD UNIV PRESS2023

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

Rainer Beck, Mateusz Suchodol, Harmina Vejayan

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

Element- and enantiomer-selective visualization of molecular motion in real-time

Majed Chergui, Malte Oppermann, Jérémy Raymond Jean Maurice Rouxel

Ultrafast optical-domain spectroscopies allow to monitor in real time the motion of nuclei in molecules. Achieving element-selectivity had to await the advent of time resolved X-ray spectroscopy, which is now commonly carried at X-ray free electron lasers. ...

Nature Portfolio2023

Decarbonizing The Production of Primary Aluminium Using Renewable Resource

Aluminium is the second most widely used metal in the world, with a variety of applications ranging from transportation to food packaging and construction. While many aluminium producers target increased utilization of recycled aluminium to produce rolled ...

American Institute of Chemical Engineering2023

Modelling the coupled mercury-halogen-ozone cycle in the central Arctic during spring

Julia Schmale, Ivo Fabio Beck, Hélène Paule Angot, Jenny Thomas

Near-surface mercury and ozone depletion events occur in the lowest part of the atmosphere during Arctic spring. Mercury depletion is the first step in a process that transforms long-lived elemental mercury to more reactive forms within the Arctic that are ...

2023

Chemical Trend of Nonradiative Recombination in Cu(In,Ga)Se2 Alloys

Stefano Falletta

Nonradiative recombination in Cu(In,Ga)Se2 (CIGS) solar cells has long been attributed to the antisite defects MCu (M = In, Ga), but the underlying mechanism is still elusive. Using rigorous first-principles calculations, we demonstrate that the antisites ...

American Physical Society (APS)2023

Simultaneous local sensing of two chemical properties with dual soft probe scanning electrochemical microscopy

Hubert Girault, Andreas Stephan Lesch, Gregorio Bonazza

A new method for the rapid and economic fabrication of dual soft microelectrodes for Soft-Probe-Scanning electrochemical microscopy (Soft-Probe-SECM) and their use for the simultaneous local detection of locally generated species is presented. The process ...

PERGAMON-ELSEVIER SCIENCE LTD2023

How much metal did the first stars provide to the ultra-faint dwarfs?

Pascale Jablonka, Yves Revaz, Mahsa Sanati

Numerical simulations of dwarf galaxies have so far failed to reproduce the observed metallicity-luminosity relation, down to the regime of ultra-faint dwarfs (UFDs). We address this issue by exploring how the first generations of metal-free stars (Pop III ...

EDP SCIENCES S A2023

Liquid metal infiltration of silicon based alloys into porous carbonaceous materials Part-III: Experimental verification of conversion products and infiltration depth by infiltration of Si-Zr alloy into mixed SiC/ graphite preforms

Ludger Weber, Annapaola Parrilli, Caroline Hain, Alberto Ortona, Manoj Kondibhau Naikade

Porous carbonaceous preforms, made from graphite and silicon carbide (SiC) powders, with varying graphite powder mass fractions and particle sizes, were infiltrated at 1500 degrees C and 1700 degrees C by Si-8 at. pct Zr alloy to produce dense Si-Zr-SiC co ...

ELSEVIER SCI LTD2023

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

Mercury Isotope Fractionation during Dark Abiotic Reduction of Hg(II) by Dissolved, Surface-Bound, and Structural Fe(II)

Lorenz Schwab

Stable mercury (Hg) isotope ratios are an emerging tracer for biogeochemical transformations in environmental systems, but their application requires knowledge of isotopic enrichment factors for individual processes. We investigated Hg isotope fractionatio ...

Amer Chemical Soc2023