Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3-8) has been very challenging for conventional electronic structure methods. To meet the challenge, we study these properties using our recently developed thermally-assisted-oc...

The objective of this work was to evaluate the hydrogen storage capacities of various activated carbon materials in form of granules, powders, fibers and clothes under cryogenic and ambient temperature conditions (77K 293K), at pressures up to 30Bar. The experimental data were analyzed for carbon samples covering a wide range of BET surfaces and microporous volumes. At 293K, the storage capacit...

Pd nanoparticles with different sizes and diameter distributions were successfully deposited on the surface of disordered mesoporous carbon spheres (DMHCS). The size and diameter distribution of the Pd particles were controlled by the application of different experimental conditions. Two methods of synthesis (reflux and impregnation) and two Pd precursors (palladium (II) acetyloacetonate (Pd(ac...

The phase structures and hydrogen storage properties of a Ti Zr V Ni alloy are studied. It is found that this alloy consists of a 0.7 0.2 0.1 matrix and a secondary phase. The matrix is a B2-type compound with bcc structure and the secondary phase is a C14-type Laves phase with hexagonal structure. This alloy electrode has a larger charge–discharge capacity than stoichiometric TiNi electrodes b...

Single-walled carbon nanotubes (SWNT) were reported to have record high hydrogen storage capacities at room temperature, indicating an interaction between hydrogen and carbon matrix that is stronger than known before. Here we present a study of the interaction of hydrogen with activated charcoal, carbon nanofibers, and SWNT that disproves these earlier reports. The hydrogen storage capacity of ...