Publications associées à Énergie d'ionisation

Characterization of Transverse Instabilities Driven by Electron Cloud

Electron cloud continues to be one of the main limiting factors of the Large Hadron Collider (LHC), the biggest accelerator at CERN. These clouds form in the beam chamber when positively charged particles are passing through and cause unwanted effects in b ...

EPFL2024

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

Alfredo Pasquarello, Thomas Bischoff, Aleksei Tal

We demonstrate the importance of addressing the F vertex and thus going beyond the GW approximation for achieving the energy levels of liquid water in manybody perturbation theory. In particular, we consider an effective vertex function in both the polariz ...

National Academy of Sciences2024

How to Find Molecules with Long-lasting Charge Migration?

Jiri Vanicek, Alan Scheidegger, Nikolay Golubev

Under certain conditions, the ionization of a molecule may create a superposition of electronic states, leading to ultrafast electron dynamics. If controlled, this motion could be used in attochemistry applications, but it has been shown that the decoheren ...

SWISS CHEMICAL SOC2023

Can dd excitations mediate pairing?

Christophe Berthod, Francesco Barantani

The Cu-3d states in the high-T-c cuprates are often described as a single band of 3d(x2-y2) states, with the other four 3d states having about 2 to 3 eV higher energy due to the lower-than-octahedral crystal field at the copper sites. However, excitations ...

Elsevier2023

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Giovanni Borghi, Ngoc Linh Nguyen, Riccardo De Gennaro, Andrea Ferretti

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Amer Chemical Soc2023

Positive Streamer Initiation in SF6/CO2 Based on Zener's Field Ionization

Guang-Yu Sun

In this study, experiments were performed to measure the inception and breakdown voltages of SF6/CO2 mixed gases with varying mixing ratios at two different pressures (1 and 2 bar). Using the preliminary data obtained from the experiments, a 3D particle mo ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

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

Bulk size-resolved chemical composition and mass concentration of non-refractory submicron aerosols measured in the Swiss container during MOSAiC 2019/2020

Julia Schmale, Benjamin Jérémy Laurent Heutte, Ivo Fabio Beck, Imad El Haddad, Hélène Paule Angot, Lubna Dada

This dataset contains the bulk size-resolved chemical composition and mass concentration of non-refractory submicron aerosols (NR-PM1) measured during the MOSAiC expedition from October 2019 to July 2020. These include the mass concentrations of sulfate (S ...

Zenodo2023

Two-particle azimuthal correlations in γp interactions using pPb collisions at √sNN=8.16 TeV

Matthias Finger, Konstantin Androsov, Qian Wang, Jan Steggemann, Yiming Li, Varun Sharma, Xin Chen, Arvind Shah, Rakesh Chawla, Jian Wang, João Miguel das Neves Duarte, Tagir Aushev, Matthias Wolf, Yi Zhang, Tian Cheng, Yixing Chen, Werner Lustermann, Andromachi Tsirou, Alexis Kalogeropoulos, Andrea Rizzi, Ioannis Papadopoulos, Paolo Ronchese, Hua Zhang, Leonardo Cristella, Siyuan Wang, Jessica Prisciandaro, Peter Hansen, Tao Huang, David Vannerom, Michele Bianco, Sebastiana Gianì, Davide Di Croce, Kun Shi, Wei Shi, Abhisek Datta, Wei Sun, Jian Zhao, Thomas Berger, Federica Legger, Bandeep Singh, Ji Hyun Kim, Donghyun Kim, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , ,

Integration of Life Cycle Impact Assessment in Energy System Modelling

François Maréchal, Jonas Schnidrig, Manuele Domenico Margni, Justine Brun

The Paris agreement is the first-ever universally accepted and legally binding agreement on global climate change. It is a bridge between today’s and climate-neutrality policies and strategies before the end of the century. However, government and private ...

2023

Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics

Jiri Vanicek, Alan Scheidegger, Nikolay Golubev

Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long-lasting oscillatory dynamics of ...

AIP Publishing2022

Nuclear Excitation by Free Muon Capture

Fabrizio Carbone, Ivan Madan, Simone Gargiulo

Efficient excitation of nuclei via exchange of a real or virtual photon has a fundamental importance for nuclear science and technology development. Here, we present a mechanism of nuclear excitation based on the capture of a free muon into the atomic orbi ...

AMER PHYSICAL SOC2022

Fragment ion-functional group relationships in organic aerosols using aerosol mass spectrometry and mid-infrared spectroscopy

Satoshi Takahama, Amir Yazdani, Imad El Haddad, Nikunj Dudani

Aerosol mass spectrometry (AMS) and mid-infrared spectroscopy (MIR) are two analytical methods for characterizing the chemical composition of OM. While AMS provides high-temporal-resolution bulk measurements, the extensive fragmentation during the electron ...

2022

Ionization Difference between Weak and Strong Electrolytes as Perturbed by Conductivity Spectra Analysis

Vasily Artemov

While the static structure of aqueous electrolytes has been studied for decades, their dynamic microscopic structure remains unresolved yet critical in many areas. We report a comparative study of dc and ac (1 Hz to 20 GHz) conductivity data of weak and st ...

AMER CHEMICAL SOC2022

Standard-Free Quantification of Dicarboxylic Acids: Case Studies with Salt-Rich Effluents and Serum

Christian Ludwig, Daniil Salionov, Sasa Bjelic

The present study evaluates the ionization efficiency (IE) of linear and branched C2–C14 dicarboxylic acids (DCAs) by electrospray ionization (ESI) under different conditions. The influence of the concentration of organic modifier (MeOH); mobile phase addi ...

2022

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Francesco Stellacci, Stefan Guldin, Zhi Luo, Ye Yang, Huayan Yang

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Wiley-VCH Verlag GmbH2022

Partial lifting of degeneracy in the J1-J2-J3 Ising antiferromagnet on the kagome lattice

Frédéric Mila, Jeanne Colbois, Andrew James Smerald

Motivated by dipolar-coupled artificial spin systems, we present a theoretical study of the classical J(1)-J(2)-J(3) Ising antiferromagnet on the kagome lattice. We establish the ground-state phase diagram of this model for J(1) > |J(2) |, |J(3) | based on ...

Amer Physical Soc2022

Design guidelines for next-generation sodium-nickel-chloride batteries

Daniel Alexander Landmann

Sodium-nickel-chloride batteries have a proven track record for backup power applications, but also show great potential for large-scale stationary electricity storage currently dominated by lithium-ion batteries. While lithium-ion cells rely on critical c ...

EPFL2022

A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra

Oleg Boyarkine

Multiphoton spectroscopy of monodeuterated water is employed to determine more than 210 new energy levels of HDO in the 25 000–35 000 cm region. These new empirical energy levels are used to fit a potential energy surface (PES) valid between 20 000 cm and ...

2021