Concept

Neptunium

Publications associées (40)

Orbital-Resolved DFT plus U for Molecules and Solids

Nicola Marzari, Iurii Timrov, Eric Macke

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...

Amer Chemical Soc2024

Atomic level insight into irradiation effects in nuclear fuel materials

Shaileyee Bhattacharya

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

Étude du ruissellement de surface sur le territoire jurassien - Analyse hydrologique et évaluation du risque

Giovanni De Cesare

Le ruissellement de surface occupe une place importante dans la problématique d'inondation. Cette étude a cherché à caractériser les paramètres à ajuster pour une modélisation hydrologique visant à évaluer ce danger. Par l'étude d'un secteur pilote d'envir ...

2023

Particle Size Effects in Ru/CNF Catalysts during Supercritical Water Gasification of Glycerol

Oliver Kröcher, Frédéric Vogel, David Baudouin, Ayush Agarwal

Ru/CNF catalysts of different Ru nanoparticle (NP) sizes (0.9-2.7 nm) were assessed for their performance in continuous supercritical water gasification (SCWG) of glycerol. A structure sensitivity of Ru was demonstrated, with high initial turnover frequenc ...

2022

Reactivity of Multimetallic Thorium Nitrides Generated by Reduction of Thorium Azides

Rosario Scopelliti, Marinella Mazzanti, Fang-Che Hsueh, Luciano Barluzzi

Thorium nitrides are likely intermediates in the reported cleavage and functionalization of dinitrogen by molecular thorium complexes and are attractive compounds for the study of multiple bond formation in f-element chemistry, but only one example of thor ...

2022

Competitive Dehydrogenation and Backbone Fragmentation of Superhydrogenated PAHs: A Laboratory Study

Eduardo Carrascosa Casado, Robert Richter

Superhydrogenated polycyclic aromatic hydrocarbons (PAHs) have been suggested to catalyze the formation of H-2 in certain regions of space, but it remains unclear under which circumstances this mechanism is viable given the reduced carbon backbone stabilit ...

2021

Insights into the microbial reduction of pentavalent and hexavalent uranium species by Shewanella oneidensis MR-1

Margaux Camille Andréa Molinas

Decades of uranium-related activities such as ore mining, nuclear power generation, weapon manufacture, storage of nuclear wastes, have contributed to the release of U in the environment. U occurrence is concerning, since in surface environments, U is typi ...

EPFL2021

Colloidal-ALD Grown Hybrid Shells Nucleate via a Ligand–Precursor Complex

David Lyndon Emsley, Raffaella Buonsanti, Anna Loiudice, Michael Allan Hope, Ona Segura Lecina, Kevin Rossi, Snaedis Björgvinsdóttir, Amrit Venkatesh

Colloidal atomic layer deposition (c-ALD) enables the growth of hybrid organic/inorganic oxide shells with tunable thickness at the nanometer scale around ligand-functionalized inorganic nanoparticles (NPs). This recently developed method has demonstrated ...

2021

Colloidal copper-based nanocrystals: synthesis and mechanistic studies.

Valeria Mantella

The growing interest in nanotechnology stems from its promise of developing new materials and devices by taking advantage of unique phenomena emerging at the nanoscale. In this size regime, parameters like size and shape strongly impact the physico-chemica ...

EPFL2020

Structural Snapshots of Cluster Growth from {U6 } to {U38 } During the Hydrolysis of UCl4

Marinella Mazzanti, Farzaneh Fadaei Tirani, Lucile Sylvie Danielle Chatelain, Radmila Faizova

Herein we report the assembly of large uranium(IV) clusters with novel nuclearities and/or shapes from the controlled hydrolysis of UCl4 in organic solution and in the presence of the benzoate ligands. {U6}, {U13}, {U16}, {U24}, {U38} oxo and oxo/hydroxo c ...

2019

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