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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

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Integration of Life Cycle Impact Assessment in Energy System Modelling

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

2023

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

2022