We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density functional theory calculations, we show that the initial decrease of the sticking probability with increasing kinetic energy in the system H2/Pd(100), which is usually attributed to the existence of a molecular adsorption ...

The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Waterloo (Canada) and Military University of Technology (Warsaw, Poland) are critically reviewed in this paper. The research results indicate that micr...

Abstract The effect of spinning rates on mechanical properties and hydrogen absorption/desorption Ti 47 Zr 31 Ni 14 Cr 8 amorphous ribbons have been investigated in the present work. A fully structure was confirmed by x-ray diffraction (XRD) transmission electron microscopy (TEM) analysis obtained from 30 m s −1 to 45 . uniformity their were improved with increase rate. Scanning (SEM) revealed ...

The hydrogen storage performance of ball-milled MgH2 with 5 wt.% NbF5 + 5 wt.% single-walled carbon nanotubes as additives was investigated. We found that the hydrogen-sorption kinetics of magnesium is markedly improved by these co-additives. At 573 K, this hydride can absorb 6.3 wt.% hydrogen within 30 s. Even at 373 K, 5.2 wt.% of hydrogen can be absorbed within 10 min. This enhanced hydrogen...

LiAlH4 was modified by mechanical milling and with the addition of 5 wt.% Fe2O3 in order to improve its hydrogen desorption properties. The composite milled for 1, 3, 5, 7 or 15min, depending on time, various phenomena took place. Up a time 5min, particle size decreases. Further leads particles agglomeration reaching starting material after 15min. Moreover, process transformation AlH - 4 3 6 st...

Mg (MgH2)-based composites, using carbon nanotubes (CNTs) and pre-synthesized vanadium-based complex (VCat) as the catalysts, were prepared by high-energy ball milling technique. The synergistic effect of coupling CNTs and VCat in MgH2 was observed for an ultra-fast absorption rate of 6.50 wt. % of hydrogen per minute and 6.50 wt. % of hydrogen release in 10 min at 200 °C and 300 °C, respective...

Ammonia decomposition on Ir(100) has been studied over the pressure range from ultrahigh vacuum to 1.5 Torr and at temperatures ranging from 200 to 800 K. The kinetics of the ammonia decomposition reaction was monitored by total pressure change. The apparent activation energy obtained in this study (84 kJ/mol) is in excellent agreement with our previous studies using supported Ir catalysts (Ir/...