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Efficient hydrogen storage in solid-state materials is essential for next-generation energy systems, yet achieving a high gravimetric capacity with optimal adsorption characteristics remains a critical challenge. Although Li-decorated…
Hydrides are simple compounds containing one or a few hydrogen atoms bonded to a heavier atom. They are fundamental precursor molecules in cosmic chemistry and many hydride ions have become observable in high quality for the first time…
The kinetics of hydrogen absorption by magnesium bulk is affected by two main activated processes: the dissociation of the H$_2$ molecule and the diffusion of atomic H into the bulk. In order to have fast absorption kinetics both activated…
We present Far Ultraviolet Spectroscopic Explorer (FUSE) observations of interstellar molecular hydrogen (H_2) in two Galactic high-velocity clouds (HVCs). Molecular hydrogen absorption is detected in the Magellanic Stream (abundance ~0.3…
Protonated water clusters are a common species of atmospheric molecular cluster-ion, produced by cosmic rays throughout the troposphere and stratosphere. Under clear-sky conditions or periods of increased atmospheric ionisation, such as…
We present the first set of rate coefficients for the rotational excitation of the 7 lowest levels of hydrogen fluoride (HF) induced by collision with water molecules, the dominant collider in cometary comas, in the 5-150 K temperature…
It is a fact that interstellar formation processes are thermodynamically affected. Based on this, the seven heterocycles; imidazole, pyridine, pyrimidine, pyrrole, quinoline, isoquinoline and furan that have been searched for from different…
The ionization of a hydrogen-like heavy ion by impact of a charged projectile under simultaneous irradiation by a short laser pulse is investigated within the non-perturbative approach, based on numerical solutions of the time-dependent…
On highly oxygen deficient thin films of hafnium oxide (hafnia, HfO$_{2-x}$) contaminated with adsorbates of carbon oxides, the formation of hafnium carbide (HfC$_x$) at the surface during vacuum annealing at temperatures as low as 600…
Molecular dynamics simulations have been used extensively to determine equilibrium properties of the electrode-electrolyte interface in supercapacitors held at various potentials. While such studies are essential to understand and optimize…
Heavy metal pollution, particularly in the form of airborne aerosols such as lead (Pb), cadmium (Cd), mercury (Hg), and cobalt (Co), poses serious health and environmental risks, necessitating highly sensitive remote detection techniques.…
Nonspecific molecular adsorption like airborne contamination occurs on most surfaces including those of 2D materials and alters their properties. While the surface contamination is studied using a plethora of techniques, the effect of…
Observations of the hot gas surrounding Sgr A* and a few other nearby galactic nuclei imply electron and proton mean free paths comparable to the gas capture radius: hot accretion likely proceeds under weakly-collisional conditions in these…
This paper presents new results which may constitute a breakthrough in the effort to develop fuel cells truly suitable for use in cars and trucks. For decades, researchers have known that the alkaline fuel cell (AFC) is much cheaper to…
The transfer of charges, including electrons and holes, is a key step in heterogeneous catalysis, taking part in the reduction and oxidation of adsorbate species on catalyst surfaces. In plasmonic catalysis, electrons can transfer from…
The reduction of greenhouse gases (GHG) emitted into the earth's atmosphere, such as carbon dioxide, has obviously become a priority. Replacing fossil fuels with cleaner renewable fuels (such as ammonia) in internal combustion engines for…
Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…
We study, using extensive Monte Carlos simulations, the behavior of cationic polyelectrolytes near hydrophobic surfaces in solutions containing Hofmeister salts. The Hofmeister anions are divided into kosmotropes and chaotropes. Near a…
Hydrogen gas is the dominant component of the local interstellar medium. However, due to ionization and interaction with the heliosphere, direct sampling of neutral hydrogen in the inner heliosphere is more difficult than sampling the local…
Whether or not specific ion effects determine the charge storage properties of aqueous graphene and graphite-based supercapacitors remains a highly debated topic. In this work we present a multiscale quantum mechanics classical molecular…