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We have investigated the adsorption and desorption of helium near its liquid-vapor critical point in silica aerogels with porosities between 95% and 98%. We used a capacitive measurement technique which allowed us to probe the helium…
We present our measurements of the deuterium to hydrogen ratio (D/H) in QSO absorption systems, which give D/H = 3.40 $\pm 0.25 \times 10^{-5}$ based on analysis of four independent systems. We discuss the properties of two systems which…
Observations of HDO are an important complement for studies of water, because they give strong constraints on the formation processes -- grain surfaces versus energetic process in the gas phase, e.g. in shocks. The HIFI observations of…
Ab initio self-consistent total energy calculations using second order Moller-Plesset perturbation theory and Hay-Wadt effective core potentials for gallium and arsenic have been used to investigate the chemisorption of atomic oxygen on the…
Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure search methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen…
We introduce a model for hydrogen induced blister formation in nanometer thick thin films. The model assumes that molecular hydrogen gets trapped under a circular blister cap causing it to deflect elastically outward until a stable blister…
Au nanoclusters grown on SiO$_2$ by physical vapor deposition are exposed to Br$_2$ and then measured with 1.5 keV Na$^+$ low energy ion scattering. It is found that the clusters are able to dissociate the molecules which then adsorb as…
The mixing behavior of hydrogen with heavier elements plays a key role in modeling the interiors of giant planets such as Jupiter and Saturn. Using density functional theory combined with molecular dynamics, we investigate hydrogen-neon…
Heavy particles in galaxy clusters tend to be more centrally concentrated than light ones according to the Boltzmann distribution. An estimate of the drift velocity suggests that it is possible that the helium nuclei may have entirely or…
We consider the problem of hydrogen storage integration in microgrids to improve the electricity supply resilience. Nonlinear effects from electrochemical models of electrolyzers and fuel cells for hydrogen storage are considered, making…
The capacity of Ti-capped sp carbon atomic chains for use as hydrogen storage media is studied using first-principles density functional theory. The Ti atom is strongly attached at one end of the carbon chains via d-p hybridization, forming…
Binding energy (BE) is a critical parameter in astrochemical modeling, governing the retention of species on interstellar dust grains and their subsequent chemical evolution. However, conventional models often rely on single-valued BEs,…
The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…
During many of its applications (especially as a catalyst support material), MoO3 acts as a medium for hydrogen storage via hydrogen spillover (H atom donation from proton and electron sources to a support), for which the energetics of H…
Observational constraints on the primordial deuterium-to-hydrogen ratio (D/H) can test theories of the early universe and provide constraints on models of big bang nucleosynthesis (BBN). We measure deuterium absorption in high-redshift,…
The availability of accurate computational tools for modeling and simulation is vital to accelerate the discovery of materials capable of storing hydrogen (H2) under given parameters of pressure swing and temperature. Previously, we…
We present a new measurement of the deuterium-to-hydrogen ratio (D/H) in the Lyman limit absorption system at $z = 3.572$ towards Q1937--1009. We use an improved method to measure D/H in QSO absorption systems, which includes extra…
By means of density functional theory we have undertaken a structural, electronic and magnetic survey of the adsorption of the Fe_xPt_y(x,y=<4) clusters on MgO (001) surface under the generalized gradient approximation. We have tested…
In recent years, the scientific community has given more and more attention to the issue of climate change and global warming, which is largely attributed to the massive quantity of carbon dioxide emissions. Thus, the demand for a carbon…
Density functional theory has been used to study the adsorption of molecular H2 on a graphene layer. Different adsorption sites on top of atoms, bonds and the center of carbon hexagons have been considered and compared. We conclude that the…