Various nanostructures have been widely investigated as alternative materials for hydrogen storage using experimental and computational techniques. Combination of boron fullerenes with metals such as magnesium can be used as hydrogen storage materials. In this research, the electronic properties and topology of magnesium-doped boron fullerenes and their interaction with H2 for hydrogen storage are investigated using density functional theory. By density functional calculations with B3LYP/6-31G//M062X/6-31G** method, the structures of B80, Mg12B80, Mg20B80 and Mg30B80 were optimized and the total energy of each of them are calculated. The charge transfer from Mg to B atoms creates an electric field around Mg atoms with a positive charge. When hydrogen molecules approach the system, the hydrogen molecules become polarized and they are adsorbed to these boron fullerenes doped with Mg atoms. Adding one hydrogen molecule to the B80, Mg12B80, Mg20B80 and Mg30B80 structures, adsorption energies, electronic properties and some molecular descriptors were calculated. The results showed that Mg12B80 has the lowest gap energy (ΔEH-L), the lowest hardness (ƞ), and the highest adsorption energy, which indicates the reactivity and the hydrogen storage ability of this structure is higher than B80, Mg20B80 and Mg30B80.

Many Efforts have been made in order to use new and renewable energy instead of fossil fuels and as a supply of the needed clean energy. One of the most interesting options which attracts researches’ attention, is one of the most common element in the earth, Hydrogen. For using the hydrogen as a source of energy, there are two important points which should be considered carefully, first is the technology of production of hydrogen and second the storage of hydrogen. In this article the hydrogen adsorbent materials are introduced. The metallic hybrids, Nitrogen based materials, Mg-based materials and carbon based materials are four main groups of hydrogen storage materials that attracts many attentions. Faradic parameter described theoretically the capability of hydrogen storage. Based on the before investigation, high current density, lower voltage and high discharge rate in carbon based materials especially in carbon nano tubes increase the capability of hydrogen storage. Increasing the storage capacity of hydrogen will help human being to access the clean fuel for all uses in energy.

Hydrogen energy has the advantages of low carbon and cleanliness, high energy density, and high conversion efficiency; it is expected to play a pivotal role in Eastern Asia and the MENA region’s energy transition. The research status and development prospects of various technologies in hydrogen production, hydrogen storage, and hydrogen use are analyzed. On this basis, specific technical paths for developing renewable energy and integrated energy service parks coupled with hydrogen energy are proposed. Solid polymer electrolyte (SPE) electrolysis hydrogen production and solid material hydrogen storage are the most potential development in directions of hydrogen production and hydrogen storage. Technologies such as hydrogen fuel cell and natural gas hydrogen mixture in the hydrogen use link should be simultaneously promoted. The organic combination of wind/light-abandoned hydrogen production by electrolysis of water, wind power/photovoltaic off-grid hydrogen production with fuel cell power generation, hydrogen refueling station supply, methanol production, and natural gas hydrogen mixing technology would effectively solve the uneconomical and transportation difficulties of renewable energy hydrogen production. At the same time, hydrogen energy can realize the interconnection of multiple energy networks, and its application prospects in the future integrated energy service parks are very broad.

Today, hydrogen storage as a clean and renewable energy source has main rule in the energy saving studies. Adsorption of hydrogen molecules on the adsorbent surface is an effective method in this point. In this paper, application of nanostructure carbon metrials such as carbon nanotubes, nanohorns and fullerene molecules in the hydrogen adsorption are investigated. Generally Nanotube carbons have low specific surface area and therefore have low affinity in hydrogen adsorption, but this affinity can improve. Some examples of these improvements are impregnation with metals such as Li, chemical treatment with KOH and heat treatment in temperature 400-500 oC. Nanohorns have higher specific surface area than nanotubes and their surface area can improve to 1900 m2/gr by means of heat treatment. In this condition, hydrogen storage capacity are around 4 wt% at T=77 K. Hydrogen storage of fullerenes improve with both mechanisms of adsorption within molecular structure and hydride formation. In addition, activated carbons produced from fullerene have high adsorption capacity to storage of hydrogen.

Hydrogen storage in large quantities is a main factor to produce ‘‘Hydrogen Economy’’. Recently, with the development of the hydrogen economy and fuel cell vehicles, the manner of storing and delivering large quantities of hydrogen arises as a major problem. Nowadays several hydrogen storage methods are available. Technologies are being developed and/or engineered other than the classical compression and liquefaction of hydrogen, which are based on the chemical (e.g., ammonia) and physical (e.g., carbon nanotubes) adsorption of H2. Also, a novel technology is in progress, which is based on clathrate hydrates of hydrogen. In this article has been tried to discuss at length the possibility of hydrogen storage in hydrate and thermodynamic models.

In this study, hydrogen fuel and its advantages as well as hydrogen storage methods are introduced. Based on the investigations, using metal hydrides, especially magnesium hydride, is the most promising method for hydrogen storage. Magnesium hydride offers high storage capacity, light weight, low cost and high safety. In spite of these advantages, hydrogen release temperature is high and also desorbtion kinetic is slow for this material. Furthermore, magnesium hydride could easily be poisoned when exposed to oxygen. The mentioned problems have caused limitations in technical application of this material in hydrogen storage. In current study, methods to overcome these problems and to modify magnesium hydride properties are discussed.

Studies have shown that magnesium-based compounds can be used as solid state hydrogen storage materials. In this study, the Al3Mg2 intermetallic compound was prepared by casting method. Then samples of this compound were ball milled under hydrogen atmosphere at different times. Results of thermo-gravimetry and X-ray diffraction analyses showed that the highest amount of hydrogen storage was achieved after 2 h of ball milling under hydrogen atmosphere. A weight loss of about 2.4% was achieved from mentioned sample that is the highest among the samples. This weight loss occurred during three steps at temperatures of 150, 220 and 360 °C. In the next step, Al3Mg2 ingot along with TiO2 (as catalyst) was ball milled at different times under hydrogen atmosphere. The results of thermo-gravimetry and x-ray diffraction tests showed that the highest amount of hydrogen storage in this sample was achieved after 2 hours hydrogenation and a weight loss of about 2.6% by weight was obtained due to hydrogen desorption, which is close to the theoretical value.

This review article delves into the intricate mechanical behaviors exhibited by metal hydrides within hydrogen storage tanks during hydrogen absorption and release processes. The metal’s crystal structure undergoes expansion upon hydrogen absorption, leading to the liberation of energy—an exothermic phenomenon. Conversely, during hydrogen release, the metal contracts, necessitating an intake of energy from the surroundings—an endothermic occurrence. These cyclic processes give rise to two significant mechanical implications: firstly, the initiation of a decrepitation mechanism; secondly, the material undergoes rhythmic expansion and contraction, often referred to as "hydride breathing." These dual mechanisms collectively contribute to the escalating strain and stress imposed on the walls of the metal hydride container, thereby impacting its structural integrity. This review delves into the comprehensive landscape of experimental studies, measurement techniques, and modeling approaches employed in analyzing stress and strain within metal hydride hydrogen storage tanks. The report encompasses an exploration of the factors amplifying mechanical stresses within the metal hydride bed, alongside proposed strategies for their mitigation and control. Furthermore, the article concludes by presenting pragmatic and experimental recommendations aimed at the development of secure hydrogen storage tanks grounded in metal hydride technology.

In this article, the effects of VIM and VAR remelting processes are investigated on the microstructure and absorption/desorption characteristics of MmNi4.8Al0.2 hydrogen storage alloy. The main alloy prepared in a Vacuum induction furnace and remelted in VIM and VAR. The microstructures and phases were analyzed with SEM and XRD. Hydrogen absorption/desorption characteristics is performed on Sievert apparatus. The results showed that the microstructure is consisting of matrix, second phase as a result of Al segregation, porosities and cracks. The second phases in the main alloy and VAR remelted have low content of La and Ce. This phase is solutionized or decreased to low level in VIM remelted alloy. Remelting, also, declined the absorption pressure to 21.55 and 18.17 bar and the desorption pressure to 7.13 and 5.49 bar in VAR and VIM remelted alloy, but increased the hydrogen storage capacity increased to 1.42 and 1.46 wt%  respectively. The more the homogeneity degree, the less the absorption/desorption pressure and the more the hydrogen storage capacity.

In this study, environmental and sustainability aspects of six sources of hydrogen production (biomass, geothermal, hydro, nuclear, solar and wind), four systems of hydrogen production (biological, electrical, photonic and thermal) and five sources of hydrogen storage (chemical hydrides, compressed gas, cryogenic liquids, metal hydrides and nanomaterials) are compared. Five sustainability criteria (economic, environmental, social and technical dimensions and reliability) and four environmental performance criteria (greenhouse gas emissions, land use, water dischaqrge quality and solid waste generation) of the selected options are ranged from 0 to 10 points, where 10 indicates the best and 0 weak indicates the lowest performance. From the sustainability point of view, solar and geothermal sources, with ratings of 7.4 and 4.6, have the highest and lowest performances, respectively. Electrical and photonic systems with 7.6 and 5.4 points have the highest and lowest performances in hydrogen production, respectively. Nanomaterials and cryogenic liquids with 8.4 and 3.4 points have the highest and lowest performances in hydrogen storage, respectively. Electrical hydrogen production based on solar energy according with the nanomaterial storage system are the most sustainable and best options from the environmental point of view.