Resonant inelastic X-ray scattering (RIXS) is a powerful technique that combines
spectroscopy and inelastic scattering to probe the electronic structure of materials. RIXS is …

Using the linear response-based constrained local density approximation (cLDA) approach
we systematically computed the Hubbard U parameters for series of 3 d, 4 d, and 5 d …

Efficient electrochemical energy storage and conversion require high performance
electrodes, electrolyte or catalyst materials. In this contribution we discuss the simulation …

Transition metal oxides are widely used as cathode materials in rechargeable Li-ion
batteries. Here we test the performance of the parameter-free DFT+ U method for predicting …

Understanding the possible change in UO2 surface reactivity after exposure to oxidants is of
key importance when assessing the impact of spent nuclear fuel dissolution on the safety of …

A comprehensive analysis of X-ray absorption data obtained at the UL 3-edge for a
systematic series of single-valence (UO2, KUO3, UO3) and mixed-valence uranium …

The application of core-to-core (3d-to-4f) resonant inelastic x-ray scattering (RIXS) and high-
energy-resolution fluorescence-detected x-ray absorption (HERFD-XAS) at actinide M 4, 5 …

Research efforts on the description of the low-temperature magnetic order and electronic
properties of U 3 O 8 have been inconclusive so far. Reinterpreting neutron scattering …

The key to controlling the fabrication process of transition metal sulfide nanocrystals is to
understand the reaction mechanism, especially the coordination of ligands and solvents …

A systematic investigation examining the origins of structural distortions in rutile-related
ternary uranium A UO4 oxides using a combination of high-resolution structural and …