Related papers: Remarkable Hydrogen Storage on Beryllium Oxide Clu…
Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resulting TMn-ethylene complex can absorb up to ~12 and 14 wt %…
Using first-principles calculations, we systematically study the adsorption behaviors of molecular CO on the Be (0001) surface. By calculating the potential energy surfaces, we find that CO molecularly adsorbs on the Be surface with small…
Pristine graphene is not suitable for hydrogen storage at ambient conditions since it binds the hydrogen molecules only by van der Waals interactions. However, the adsorption energy of the hydrogen molecules can be improved by doping or…
The Lithium-Boron Reactive Hydride Composite System (Li-RHC) (2 LiH + MgB$_{2}$ / 2 LiBH$_{4}$ + MgH$_{2}$) is a high-temperature hydrogen storage material suitable for energy storage applications. Herein, a comprehensive gas-solid kinetic…
The climate-driven uncertainty of renewable generation and electricity demand challenges energy security in net-zero energy systems. By introducing a scalable stochastic model that implicitly accounts for 51'840 climate years, this paper…
[abridged] Previous analyses of lithium abundances in main sequence and red giant stars have revealed the action of mixing mechanisms other than convection in stellar interiors. Beryllium abundances in stars with lithium abundance…
The Be II 3131 A doublet has been observed in the solar-type stars 16 Cyg A & B and in the late G-type star rho 1 Cnc, to derive their beryllium abundances. 16 Cyg A & B show similar (solar) beryllium abundances while 16 Cyg B, which has…
Solid O2 has been proposed as a possible reservoir for oxygen in dense clouds through freeze-out processes. The aim of this work is to characterize quantitatively the physical processes that are involved in the desorption kinetics of CO-O2…
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes for hydrogen molecules on the clean and hydrogen-preadsorbed Be(0001) surfaces. It is found that the most energetically…
H2-H2O redox cycling of iron powder beds at 650-800 {\deg}C offers a compact, safe, economical hydrogen storage method, but sintering-induced capacity loss has stalled its scalability for decades. Here, we show that adding redox-active…
We introduce a new technique that adopts the halo occupation framework for understanding the origin of QSO absorption-line systems. Our initial study focuses specifically on MgII absorbers. We construct a model of the gaseous content in…
A complete Dusty-Gas Model for the H$_2$--H$_2$O mixture in the anode transport layer of the anode-supported SOFC is considered. An exact conservation law relating the total pressure and hydrogen molar fraction at any point inside the anode…
The chemical composition of the Sun is still a highly controversial issue. No solar model has yet been able to simultaneously reproduce the solar lithium and beryllium abundances, along with helioseismic results, including the rotation…
The dissociation of a hydrogen molecule on MgO(001) films deposited on Mo(001) surface is investigated systematically using periodic density-functional theory method. The unusual adsorption behavior of heterolytic dissociative hydrogen…
We study the hydrogen storage properties of planar boron sheets and compare them to those of graphene. The binding of molecular hydrogen to the boron sheet (0.05 eV) is stronger than that to graphene. We find that dispersion of alkali metal…
Recent ultraviolet and X-ray observations of intergalactic OVI and OVII absorption systems along lines of sight to bright quasars have opened a new window onto the ``warm-hot intergalactic medium'' (WHIM). These systems appear to provide a…
The adsorption properties of isolated H$_{2}$O molecule on stoichiometric and reduced (with on-surface oxygen vacancy) ceria(1111) surfaces at low coverage are theoretically investigated by using density-functional-theory+\emph{U}…
Methane, the primary constituent of natural gas, binds too weakly to nanostructured carbons to meet the targets set for on-board vehicular storage to be viable. We show, using density functional theory calculations, that replacing graphene…
Moisture-capturing hydrogels have emerged as attractive sorbent materials capable of converting ambient humidity into liquid water. Recent works have demonstrated exceptional water capture capabilities of hydrogels, while simultaneously,…
Interaction between hydrogen (H) and metals is central to many materials problems of scientific and technological importance. Chief among them is the development of H storage and H-resistant materials. H segregation or trapping at lattice…