Hydrogen storage capacity of some Li(+)/F(-) doped neutral and charged aromatic/antiaromatic systems is studied at the B3LYP, M05-2X, MPW1K and MP2 levels of theory. Various conceptual density functional theory based global and local reactivity descriptors, nucleus independent chemical shift (NICS), NICS-rate, interaction energy per H(2) molecule, reaction enthalpy and reaction electrophilicity...

This paper presents sizing, energy management strategy, and cost analysis for a configuration consisting of solar photovoltaic (PV) panels, fuel cell (FC) storage system, and reverse osmosis (RO) desalination technology for combined power and fresh water production. In this system, PV is the main power supply source; fuel cell is a storage system accompanied by Hydrogen production and storage d...

The most important unsolved problem for the introduction of the Hydrogen Economy is efficient and safe storage of hydrogen. Alanates, compounds based on the AlH4 unit, are among the most promising metal hydrides for reversible hydrogen storage. The storage capacity is large, e.g. NaAlH4 can release 5.6 wt% hydrogen below 200 C. Work during the last years has revealed that Ti additives improve t...

hydrogen technology is becoming ever more relevant because hydrogen use can help containinggreenhouse gas emission if co2 capture and storage techniques are implemented in the hydrogen productiontechnology (when hydrogen is produced from fossil fuels). for this reason this work aims at carryingout a comparative analysis of possible energy scenarios in urban districts: a medium-small italian cit...

We study polylithiated molecules as building blocks for hydrogen storage materials, using first-principles calculations. CLi4 and OLi2 bind 12 and 10 hydrogen molecules, respectively, with an average binding energy of 0.10 and 0.13 eV, leading to gravimetric densities of 37.8 and 40.3 weight % H. Bonding between Li and C or O is strongly polar and H2 molecules attach to the partially charged Li...

Faceted crystals with exposed highly reactive planes have attracted intensive investigations for applications such as hydrogen production, enhanced catalytic activity, and electrochemical energy storage and conversion. Herein, we report the synthesis of mesoporous NiO crystals with dominantly exposed {110} reactive facets by the thermal conversion of hexagonal Ni(OH)(2) nanoplatelets. When appl...

Nanomaterials are anticipated to be promising storage media, owing to their high surface-to-mass ratio. The high hydrogen capacity achieved by using graphene has reinforced this opinion and motivated investigations of the possibility to use it to store another important energy carrier - lithium (Li). While the first-principles computations show that the Li capacity of pristine graphene, limited...

This paper is the first to define a conceptual design of fusion power complex with hydrogen storage capability in superconducting magnet system using cryogenic hydrogen. The realizes carbon-neutral society by combining large-capacity source renewable energy flexibility output. Therefore, proposed positioned as one most important next-generation sources.

Two isomeric phases of the NbO-type structure have been discovered: PCN-16 (alpha phase) and PCN-16' (beta phase), and gas sorption studies revealed that the alpha phase possesses a larger surface area, leading to higher hydrogen and methane storage capacity as compared with the beta phase.