Publications related to A concept for the extraction of the most refractory elements at CERN-ISOLDE as carbonyl complex ions

Atomic level insight into irradiation effects in nuclear fuel materials

Microstructural evolution during in-pile irradiation, radiation damage effects and fission products behavior in UO2 nuclear fuel are key issues in understanding and for the modeling of the performance as well as safety characteristics of nuclear fuels in t ...

EPFL2024

Gamma-ray Spectroscopy in Low-Power Nuclear Research Reactors

Andreas Pautz, Oskari Ville Pakari, Vincent Pierre Lamirand

Gamma-ray spectroscopy is an effective technique for radioactive material characterization, routine inventory verification, nuclear safeguards, health physics, and source search scenarios. Gamma-ray spectrometers typically cannot be operated in the immedia ...

MDPI2024

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

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

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Luca Binci

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

Amer Physical Soc2023

Monte Carlo analysis of BWR geometries using a cycle check-up methodology

Abdelhamid Dokhane, Hakim Ferroukhi, Alexander Vasiliev, Mathieu Hursin, Dimitri Rochman

Recent fuel anomalies at a Swiss power plant have motivated the development at PSI of the "Cycle Check-Up" (CHUP) methodology which consists in performing Monte Carlo transport calculations using nuclide compositions and thermal-hydraulic boundary conditio ...

Pergamon-Elsevier Science Ltd2023

Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments

Gerhard Lammel, Athanasios Nenes

The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...

Elsevier2023

Full Solution Process of a Near-Infrared Light-Emitting Electrochemical Cell Based on Novel Emissive Ruthenium Complexes of 1,10-Phenanthroline-Derived Ligands and a Eutectic Alloy as the Top Electrode

Mohammad Khaja Nazeeruddin

Near-infrared luminescent materials have recently received considerable attention for a large number of applications, including in solid-state lighting, as bioimaging agents, as photovoltaic cells, and in the telecommunication industry. By adding diverse e ...

AMER CHEMICAL SOC2023

Improving time-resolution and sensitivity of in situ X-ray photoelectron spectroscopy of a powder catalyst by modulated excitation

Oliver Kröcher, Davide Ferri, Filippo Buttignol

Ambient pressure X-ray photoelectron spectroscopy (APXPS) is a powerful tool to characterize the surface structure of heterogeneous catalysts in situ. In order to improve the time resolution and the signal-to-noise (S/N) ratio of photoemission spectra, we ...

ROYAL SOC CHEMISTRY2023

Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives

Anne-Clémence Corminboeuf, Matthew Wodrich, Shubhajit Das, Hanna Hinrika Cramer

The stepwise catalytic reduction of carbon dioxide (CO2) to formic acid, formaldehyde, and methanol opens non-fossil pathways to important platform chemicals. The present article aims at identifying molecular control parameters to steer the selectivity to ...

2023

Data-Driven Predictive Models: Calculational Bias in Characterization of Spent Nuclear Fuel

Characteristics of the spent nuclear fuel (SNF) are typically calculated, requiring validation a priori. The validation process relies on the difference between calculations and measurements, namely the bias. Usually, predicting the bias based on benchmark ...

EPFL2022

Design of the 590 MeV proton beamline for the proposed TATTOOS isotope production target at PSI

Hong Zhang, Mike Seidel

IMPACT (Isotope and Muon Production with Advanced Cyclotron and Target Technologies) is a proposed initiative envisaged for the high-intensity proton accelerator facility (HIPA) at the Paul Scherrer Institute (PSI). As part of IMPACT, a radioisotope target ...

IOP Publishing2022

Galvanic replacement reactions of Ga and In with Cu for the synthesis of bimetallic nanoparticles

Laia Castilla Amorós

The need for efficient and selective catalysts, capable of driving important conversions to build a more sustainable society, encourages the development of synthetic approaches towards new nanomaterials. Cu-based bimetallic nanoparticles (NPs) promise to f ...

EPFL2022

Mapping Catalyst‐Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions

Anne-Clémence Corminboeuf, Matthew Wodrich, Nicolai Cramer, Miyeon Chang, Simone Gallarati

Group 9 metals, in particular Rh III complexes with cyclopentadienyl ligands, are competent C–H activation catalysts. Recently, a Cp*Rh III catalyzed reaction of alkenes with N -enoxyphthalimides showed divergent outcome based on the solvent, with carboami ...

2022

Gentle nano-electrospray ion source for reliable and efficient generation of microsolvated ions

Oleg Boyarkine, Vladimir Kopysov, Andrei Zviagin

We present herein the design of a nano-electrospray ion source capable of reliable generation of large quantities of microsolvated ions. The source is based on a triple molecular skimmer scheme and can be quickly tuned to generate bare ions or their ionic ...

AIP Publishing2022

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts

Anne-Clémence Corminboeuf, Alberto Fabrizio, Puck Elisabeth van Gerwen, Sergio Vela Llausi, Simone Gallarati, Rubén Laplaza Solanas

The automated construction of datasets has become increasingly relevant in computational chemistry. While transition-metal catalysis has greatly benefitted from bottom-up or top-down strategies for the curation of organometallic complexes libraries, the fi ...

ROYAL SOC CHEMISTRY2022

Diurnal evolution of negative atmospheric ions above the boreal forest: from ground level to the free troposphere

Lubna Dada

At SMEAR II research station in Hyytiala, located in the Finnish boreal forest, the process of new particle formation and the role of ions has been investigated for almost 20 years near the ground and at canopy level. However, above SMEAR II, the vertical ...

Copernicus GmbH2022

High accuracy measurement of the prompt neutron decay constant in CROCUS using Gamma Noise and bootstrapped uncertainties

Pavel Frajtag, Andreas Pautz, Oskari Ville Pakari, Vincent Pierre Lamirand, Tom Mager

We experimentally demonstrate the advantages of gamma detection for noise measurements to deter-mine the prompt neutron decay constant a of a nuclear reactor using the power spectral density (PSD) method, coupled to a new uncertainty estimation scheme base ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Solar reduction of carbon dioxide on copper-tin electrocatalysts with energy conversion efficiency near 20%

Michael Graetzel, Shaik Mohammed Zakeeruddin, Yuhang Liu, Dan Ren, Jing Gao, Meng Xia, Jun Li

Solar-driven carbon dioxide reduction has witnessed a renaissance in the past decades, but the system suffers from low reaction rates. Here the authors develop a copper/tin-oxide electrocatalyst, achieving a new benchmark solar-to-CO energy conversion effi ...

Nature Portfolio2022

Chiral Cyclic Alkyl Amino Carbene (CAAC) Transition-Metal Complexes: Synthesis, Structural Analysis, and Evaluation in Asymmetric Catalysis

Adrien Jules Louis Madron Du Vigné

Despite recent advances in the field of cyclic alkyl amino carbenes (CAACs) including a few complementary synthetic strategies affording CAACs with various substitution patterns, the application potential of chiral CAACs to efficiently catalyze asymmetric ...

2022