Hydrogen-based fuel cells are promising solutions for the efficient and clean delivery of electricity. Since hydrogen is an energy carrier, a key step for the development of a reliable hydrogen-based technology requires solving the issue of storage and transport of hydrogen. Several proposals based on the design of advanced materials such as metal hydrides and carbon structures have been made t...

Nuclear quadrupole resonance (NQR) spectroscopy is an accurate method for determination of electric charge distribution around quadrupolar nuclei. Using ab initio computational methods, it is possible to calculate the Nuclear Quadrupole Coupling Constants (NQCCs) with high accuracy and obtain the useful structural information by using these parameters. Sodium Borohydride, NaBH4, is a metal hydr...

the hydrogenation characterizations of the hydrogen storage alloy mmni4.22co0.48mn0.15al0.15 (mm= mischmetal), and the effect of hydrogenation/dehydrogenation (h/d) cycling on its structural and morphological properties are investigated. the results indicate that after several h/d cycles the alloy was pulverized into fine particles, but it kept its hexagonal cacu5-type structure. the pressure-c...

We propose incorporating a bi-functional group consisting of magnesium or calcium cations and a 1,2,4,5-benzenetetroxide anion (C6H2O4(4-)) in porous materials to enhance the hydrogen storage capacity. The C6H2O4M2 bifunctional group is highly stable and polarized, and each group provides 18 (M = Mg) or 22 (M = Ca) binding sites for hydrogen molecules with an average binding energy of ca. 10 kJ...

Mg-based hydrides are one of the most promising hydrogen storage materials because of their relatively high storage capacity, abundance, and low cost. However, slow kinetics and stable thermodynamics hinder their practical application. In contrast to the substantial progress in the enhancement of the hydrogenation/dehydrogenation kinetics, thermodynamic tuning is still a great challenge for Mg-...

It is generally accepted that the electrochemical discharge capacity of a hydrogen storage alloy is closely related to its crystal characteristics. From our experiment, the discharge capacity of AB type Laves phase hydrogen storage alloy ZrCr Mn V Ni 2 0.4 0.2 0.1 1.3 21 21 decreased sharply from 324 mAh g to 25 mAh g after amorphization by mechanically milling the crystalline (as-cast) alloy w...