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Ion specific outcomes at aqueous interfaces remain among the most enigmatic phenomena in interfacial chemistry. Here, charged fused silica/water interfaces have been probed by homodyne- and heterodyne-detected (HD) second harmonic…
Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. Together with the original CL-P parameters, our force field fosters computational investigation of ionic…
We present a multiscale simulation approach for hydroxide transport in aqueous solutions of potassium hydroxide, combining ab initio molecular dynamics (AIMD) simulations with force field ensemble averaging and lattice Monte Carlo…
Context. The chemistry of the diffuse interstellar medium rests upon three pillars: exothermic ion-neutral reactions (" cold chemistry "), endothermic neutral-neutral reactions with significant activation barriers (" warm chemistry "), and…
We investigate neutralization processes (especially thermal surface neutralization), which are required for the magneto-optical trapping of radioactive atoms. A variety of neutralization methods are first summarized: neutral beam injection…
The recent wave of detections of interstellar aromatic molecules has sparked interest in the chemical behavior of aromatic molecules under astrophysical conditions. In most cases, these detections have been made through chemically related…
Far Ultraviolet Spectroscopic Explorer (FUSE) data is used to investigate the molecular hydrogen (H_2) content of intermediate-velocity clouds (IVCs) in the lower halo of the Milky Way. We analyze interstellar absorption towards 56 (mostly…
We demonstrate a new technique to prepare an offline source of francium for trapping in a magneto-optical trap. Implanting a radioactive beam of $^{225}$Ac, $t_{1/2} = 9.920(3)$ days, in a foil, allows use of the decay products,…
Advanced in situ techniques based on electrons and X-rays are increasingly used to gain insights into fundamental materials dynamics in liquid media. Yet, ionizing radiation changes the solution chemistry. In this work, we show that…
We describe an approach to detecting ionizing radiation that combines the special properties of superfluid helium with the sensitivity of quantum optics techniques. Ionization in liquid helium results in the copious production of metastable…
The interaction between oil and foam has been the subject of various studies. Indeed, oil can be an efficient defoaming agent, which can be highly valuable in various industrial applications where undesired foaming may occur, as seen in…
High-resolution mass spectra of helium droplets doped with C$_{60}$ and formic acid (FA) are ionized by electrons. Positive ion mass spectra reveal cluster ions [(C$_{60}$)$_p$FA$_n$]$^+$ together with their hydrogenated and dehydrogenated…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…
We present molecular dynamics simulations of the adsorption of mixed CO2-water vapors on a graphene flakes substrate, a model inspired by the microporous structure of activated carbons. Adsorption strength is quantified through a reduced…
[Abridged] Ethylene oxide and its isomer acetaldehyde are important complex organic molecules because of their potential role in the formation of amino acids. Despite the fact that acetaldehyde is ubiquitous in the interstellar medium,…
Carbon mitigation is one challenging issue that the world is facing. To tackle deleterious impacts of CO2, processes emerged, including chemisorption from amine based solvents, and more recently physisorption in porous solids. While CO2…
The adsorption behavior of ions at liquid-vapor interfaces exhibits several unexpected yet generic features. In particular, energy and entropy are both minimum when the solute resides near the surface, for a variety of ions in a range of…
Hydrogen peroxide (H2O2) formation rates in a proton exchange membrane (PEM) fuel cell anode and cathode were estimated as a function of humidity and temperature by studying the oxygen reduction reaction (ORR) on a rotating ring disc…
We use high-resolution UV spectra of the radio-quiet QSO H1821+643 (z_em = 0.297), obtained with STIS and FUSE, to study the ionization and metallicity of an intervening O VI absorption line system at z(abs) = 0.1212. This absorber has the…
Capture and conversion of CO2 are of great importance for environment-friendly and sustainable development of human society. Poly(ionic liquid)s (PILs) combine some unique properties of ILs with that of polymers and are versatile materials…