Related papers: Interaction between U/UO2 bilayers and hydrogen st…
Molecular dynamics simulations have been performed for CO2 capture and separation from CO2/N2/H2O gaseous mixtures in bilayer graphtriyne. The gas uptake capacity, permeability as well as selectivity of the layers were simulated based on an…
A R&D program is developed at the ALTO facility to provide new beams of exotic neutron-rich nuclei, as intense as possible. In the framework of European projects, it has been shown that the use of refractory targets with nanometric…
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid ions and pair interactions (RIPI) using high-performance graphics processors (GPU). In this…
The oxidation of the Ni(111) surface is studied experimentally with low energy electron microscopy and theoretically by calculating the electron reflectivity for realistic models of the NiO/Ni(111) surface with an ab-initio scattering…
We revisit large spectroscopic data sets for field stars from the literature to derive the upper Li envelope in the high metallicity regime in our Galaxy. We take advantage of Gaia EDR3 data and state-of-the-art stellar models to precisely…
We have successfully demonstrated Si/GaAs p-n heterostructures using Al2O3 ultra-thin oxide interfacial layers. The band diagram and band offsets were investigated using X-ray photoelectron spectroscopy and confirm a small discontinuity in…
(abridged) In this paper, we examined XMM Newton EPIC spectra of 14 ultra-luminous X-ray sources (ULXs)in addition to the XMM RGS spectra of two sources (Holmberg II X-1 and Holmberg IX X-1). We determined oxygen and iron abundances of the…
The growth and ordering of molecules on surfaces is an intriguing research topic as insights gained here can be of significant relevance for organic electronic devices. While often simple, rigid molecules are employed as model systems, we…
The atomic surface and interface structure of bare and metal-coated ZnO(0001) Zn-polar wafers were investigated via surface x-ray diffraction. All bare samples showed the presence of a (1x1) overlayer of oxygen atoms located at the on-top…
We report results from a FUSE survey of interstellar molecular hydrogen (H2) in the Galactic disk toward 139 O-type and early B-type stars at Galactic latitudes $|b| < 10^{\circ}$, with updated photometric and parallax distances. The H2…
In addition to the pressurized high-temperature superconductivity, bilayer and trilayer nickelate superconductors Lan+1NinO3n+1 (n = 2 and 3) exhibit many intriguing properties at ambient pressure, such as orbital-dependent electronic…
Eumelanin is a widespread biomacromolecule pigment in the biosphere and is intensively tested in numerous bioelectronics and energetic applications. Many of these applications depend on eumelanin's ability to conduct proton current at…
Twisted van der Waals bilayers provide an ideal platform to study the electron correlation in solids. Of particular interest is the 30 degree twisted bilayer honeycomb lattice system, which possesses an incommensurate Moire pattern and…
High entropy oxides (HEOs) are a class of materials, containing equimolar portions of five or more transition metal and/or rare-earth elements. We report here about the layer-by-layer growth of HEO…
UiO-66 (Zr) is a metal-organic framework known for its thermal and chemical stability and wide range of possible applications. In particular, this material has high separation selectivity of various hydrocarbon mixtures. Moreover, it is was…
We examine the emergent fluxes from helium-core white dwarfs following their evolution from the end of pre-white dwarf stages down to advanced cooling stages. For this purpose, we include a detailed treatment of the physics of the…
The interaction of water with oxide surfaces is of great interest for both fundamental science and applications. We present a combined theoretical [density functional theory (DFT)] and experimental [Scanning Tunneling Microscopy (STM),…
The diffusional dynamics and vibrational spectroscopy of molecular hydrogen (H$_2$) in myoglobin (Mb) is characterized. Hydrogen has been implicated in a number of physiologically relevant processes, including cellular aging or…
Hydrogen is an efficient energy carrier that can be produced from renewable sources, enabling the transition towards CO2-free energy. Hydrogen can be stored for a long period in the solid-state, with suitable alloys. Ti-rich TiFe0.90…
We report the magnetic response of Au/GdFeCo bilayers to optical irradiation of the Au surface. For bilayers with Au thickness greater than 50 nm, the great majority of energy is absorbed by the Au electrons, creating an initial temperature…