Hydrogen storage performance of activated natural zeolite and its modification with activated charcoal

Improving the hydrogenation properties of AZ31-Mg alloys with different carbonaceous additives by high energy ball milling (HEBM) and equal channel angular pressing (ECAP)

Some metals and metal alloys can store gaseous hydrogen (GH2), making the storage of hydrogen in metal hydrides (MHs) possible. The present work aims to explore the development of marine MHs and technologies for enhancing hydrogen storage performance while identifying future research priorities. First, the mechanism of MHs hydrogen storage is summarized and its applications in the maritime field are introduced. Subsequently, the technical and economic feasibility of utilizing MHs hydrogen storage technology in ships is analyzed along with the application scenarios and requirements of ship‐based MHs. Furthermore, to meet the target requirements for hydrogen storage properties in ship power systems, this review focuses on several aspects: the hydrogen storage materials, reactor structural parameters, hydrogen storage operating conditions, and thermal management optimization. The factors influencing the performance of MHs hydrogen storage systems and their impacts are summarized. Strategies to enhance the performance of MHs hydrogen storage are proposed and technologies for heat transfer enhancement in MHs hydrogen storage, along with the corresponding thermal management systems, are introduced. Finally, future research directions for ship‐based MHs hydrogen storage are outlined: developing new synthesis routes for novel MH hydrogen storage materials; creating microchannel hydrogen storage reactors with excellent hydrogen storage and heat transfer performance and conducting combined optimization analyses of multiple reactor structural parameters and operational parameters; coupling phase change materials (PCMs) to enhance the energy utilization efficiency of the hydrogen absorption and desorption process; reasonably regulating the kinetics of the hydrogen storage system to ensure the dynamic stability coupled with hydrogen fuel cells; and constructing intelligent hydrogen storage systems based on deep learning methods to improve the predictive and decision‐making capabilities for hydrogen storage performance and thermal management. Through exploring these research directions, MHs hydrogen storage technology is anticipated to achieve greater efficiency and wider applications in the future.

Impacts of Ce dopants on the hydrogen storage performance of Ti-Cr-V alloys

Composite material consisting of single walled carbon nanotubes (SWCNTs) and metal oxide nanoparticles has been prepared and their hydrogen storage performance is evaluated. Metal oxides such as tin oxide (SnO2), tungsten trioxide (WO3), and titanium dioxide (TiO2) are chosen as the composite constituents. The composites have been prepared by means of ultrasonication. Then, the composite samples are deposited on alumina substrates and at 100 °C in a Sieverts-like hydrogenation setup. Characterization techniques such as transmission electron microscopy (TEM), Raman spectroscopy, scanning electron microscopy (SEM), powder X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, energy dispersive spectroscopy (EDS), CHN elemental analysis, and thermogravimetric (TG) measurements are used to analyze the samples at various stages of experiments. Hydrogen storage capacity of the composites namely, SWCNT-SnO2, SWCNT-WO3, and SWCNT-TiO2 are found to be 1.1, 0.9, and 1.3 wt %, respectively. Hydrogenated composite samples are stable at room temperature and desorption of hydrogen is found to be 100% reversible. Desorption temperature ranges and binding energy ranges of hydrogen have been measured from the desorption studies. The hydrogenation, dehydrogenation temperature, and binding energy of hydrogen fall in the recommended range of a suitable hydrogen storage medium applicable for fuel cell applications. Reproducibility and deterioration level of the composite samples have also been examined.

With impending serious concerns associated with climate change and the depletion of fossil fuels, an envisaged hydrogen economy remains a viable alternative for addressing future energy issues. However, the significant technical challenges from vehicular hydrogen storage systems such as weight, efficiency, safety and cost constraints must be properly resolved before a commercial application is possible. Compared to compressed high-pressure and liquid hydrogen storage systems, storing hydrogen in solid systems via chemisorption and physisorption is emerging as a promising approach for hydrogen storage [1-3]. In this presentation, recent advances in the solid-state hydrogen storage with a high volumetric density are highlighted.In addition, graphene-based nanomaterials have been considered as a promising candidate for hydrogen storage due to its lightweight and high surface area [4]. We have synthesized graphene oxide (GO), reduced graphene oxide (rGO) and boron-doped reduced graphene oxide (B-rGO) and investigated their performance for hydrogen storage. To enhance their capacity for hydrogen storage, the fabricated graphene oxide based nanomaterials were further modified with palladium (Pd) nanoparticles. The morphological features, structure and chemical compositions of the synthesized nanomaterials (GO, rGO and B-rGO) and nanocomposites (Pd/GO, Pd/rGO and Pd/B-rGO) were characterized using field-emission scanning electron microscopy, transmission electron microscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy and Raman spectroscopy, showing that Pd nanoparticles were uniformly dispersed on the B-rGO surface. Cyclic voltammetry and galvanostatic charging-discharging technique were employed to probe the hydrogen storage capacity of the graphene based nanomaterials and the nanocomposites. The effect of the boron substitution and the Pd nanoparticle decoration on the hydrogen storage are discussed.

Magnesium-based hydrogen storage alloys have attracted significant attention as promising materials for solid-state hydrogen storage due to their high hydrogen storage capacity, abundant reserves, low cost, and reversibility. However, the widespread application of these alloys is hindered by several challenges, including slow hydrogen absorption/desorption kinetics, high thermodynamic stability of magnesium hydride, and limited cycle life. This comprehensive review provides an in-depth overview of the recent advances in magnesium-based hydrogen storage alloys, covering their fundamental properties, synthesis methods, modification strategies, hydrogen storage performance, and potential applications. The review discusses the thermodynamic and kinetic properties of magnesium-based alloys, as well as the effects of alloying, nanostructuring, and surface modification on their hydrogen storage performance. The hydrogen absorption/desorption properties of different magnesium-based alloy systems are compared, and the influence of various modification strategies on these properties is examined. The review also explores the potential applications of magnesium-based hydrogen storage alloys, including mobile and stationary hydrogen storage, rechargeable batteries, and thermal energy storage. Finally, the current challenges and future research directions in this field are discussed, highlighting the need for fundamental understanding of hydrogen storage mechanisms, development of novel alloy compositions, optimization of modification strategies, integration of magnesium-based alloys into hydrogen storage systems, and collaboration between academia and industry.

Recent progress of nanotechnology in enhancing hydrogen storage performance of magnesium-based materials: A review

This study employs a data-guided approach to evaluate zeolites for hydrogen storage, utilizing molecular simulations. The development of efficient and practical hydrogen storage materials is crucial for advancing clean energy technologies. Zeolites have shown promise as potential candidates due to their unique porous structure and tunable properties. However, the selection and design of suitable zeolites for hydrogen storage remain challenging. Therefore, this work aims to address this materials science question by utilizing molecular simulations and data-guided approaches to evaluate zeolites' performance for hydrogen storage. The results obtained from this study provide valuable insights into the evaluation of zeolites for hydrogen storage. Through molecular simulations, we analyze the adsorption behavior of hydrogen molecules in various zeolite structures. The performance of different zeolite frameworks in terms of hydrogen storage capacity, adsorption energy, and diffusion properties is assessed. Linde type A zeolite (LTA) had the highest capacity with a hydrogen capacity of 4.8wt% out of the 233 investigated zeolites. Furthermore, we investigate the influence of different factors such as mass (M), density (D), helium void fraction (HVF), accessible pore volume (APV), gravimetric surface area (GSA), and largest overall cavity diameter (Di) on the hydrogen storage performance of zeolites. The results show that Di, D, and M have a negative effect on the percentage weight capacity, while GSA and VSA have the highest positive contribution to the percentage weight. This study, therefore, provides new insights into the factors that affect their hydrogen storage capacity by exhibiting the importance of considering multiple factors when evaluating the performance of zeolites and demonstrates the potential of combining different computational methods to provide a more comprehensive understanding of materials. The current study contributes to the understanding of zeolite-based materials for hydrogen storage applications, aiding in the development of more efficient and practical hydrogen storage systems. Computational techniques were employed to investigate the hydrogen storage properties of zeolites. Molecular simulations were performed using classical force fields and molecular dynamics methods. The calculations were carried out at a force field level of theory with the GGA functional. To accurately capture the thermodynamics and kinetics of hydrogen adsorption, enhanced sampling techniques such as Monte Carlo simulations and molecular dynamics with metadynamics were utilized. We employed Grand Canonical Monte Carlo (GCMC) simulations to model hydrogen adsorption in zeolite structures for hydrogen storage. Our approach involved performing a substantial number of Monte Carlo steps (10,000) to ensure system equilibration and precise results. We defined a cutoff distance for particle interactions as 12.5 Ǻ and considered 0.000e framework charge per cell and 0.000e sorbate charge in energy calculations. The choice of an appropriate simulation cell size (50 × 50 × 50) Ǻ was crucial, mirroring real-world conditions. We specified lower and upper fugacity values (1 to 10atm) to capture the range of gas pressures in the simulations. These methodical steps collectively enabled us to accurately model hydrogen adsorption within zeolites, forming the core of our hydrogen storage evaluation. In this research, we utilized DFT calculations to thoroughly investigate the interactions between zeolites and hydrogen. We employed pseudopotentials to describe electron behavior in zeolite systems, choosing them in line with DFT norms and basis set compatibility. Our simulation cell design replicated zeolite periodicity and eliminated boundary effects. Pre-geometry optimization was performed with HyperChem29, ensuring stable conformations with strict convergence criteria. We utilized 6-31 + G(d) and LanL2DZ basis sets for light and heavy atoms, aligning with field standards for computational efficiency and precision. A machine learning algorithm was used to rank the importance of various structural features such as mass (M), density (D), helium void fraction (HVF), accessible pore volume (APV), gravimetric surface area (GSA), and largest overall cavity diameter (Di) and how they affect the capacity of the zeolites. Machine learning analysis was performed with the Scikit-learn library, an open-source Python tool. We employed a range of machine learning models, including SVMs, random forests, and neural networks, primarily for data analysis and feature extraction. Pearson correlation analysis, a classical statistical technique, was used to evaluate linear relationships between variables and assess the strength and direction of these relationships. It served as a complementary tool to understand the interplay of variables in our dataset, distinguishing it from machine learning algorithms. Further quantum chemical calculations were also performed to calculate the adsorption energy, global reactivity electronic descriptors, and natural bond orbital analysis in order to provide insights into the interaction of the zeolites with hydrogen. The simulations and data analysis were performed using BIOVIA material studio software, Gaussian, and Origin Pro software.

The study of La and Mg elements on the improved structure and hydrogen storage performance of Ca2MgNi9 alloy

Room-temperature hydrogen storage performance of metal-organic framework/graphene oxide composites by molecular simulations

Pine sawdust derived ultra-high specific surface area activated carbon: Towards high-performance hydrogen storage and supercapacitors

Hydrogen storage performance of lithium borohydride decorated activated hexagonal boron nitride nanocomposite for fuel cell applications

Controllability construction and structural regulation of metal-organic frameworks for hydrogen storage at ambient condition: A review

Hydrogen fuel is rapidly gaining recognition as a promising alternative energy source with the potential to help address the global energy crisis. As the demand for sustainable and environmentally friendly energy solutions increases, hydrogen stands out due to its abundance and clean combustion, producing only water as a byproduct. Carbon-based materials, known for their large surface area and excellent mass transport properties, play a critical role in enhancing hydrogen fuel applications. These materials are particularly effective in catalysis, adsorption, and energy storage, making them invaluable in the pursuit of more efficient and sustainable energy systems [1-19].This study evaluated the hydrogen uptake of five different activated carbon materials, each modified with a distinct metal ion (Ni, Co, Ag, Cu, Zn), to assess the impact of metal modification on hydrogen storage capacity. The structural and compositional changes resulting from the metal modifications were thoroughly characterized using various analytical techniques. Powder X-ray Diffraction (PXRD) was employed to analyze the crystalline structures of the modified carbons, providing insight into potential alterations in their lattice arrangements. Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to detect changes in functional groups, highlighting any chemical modifications caused by the metal incorporation. Scanning Electron Microscopy (SEM) offered detailed surface morphology images, enabling a close examination of the physical alterations to the carbon materials. Together, these techniques provided a comprehensive understanding of how metal modifications influence the hydrogen storage capabilities of activated carbon materials.Nitrogen adsorption isotherms were measured at 77 K (liquid nitrogen temperature) to evaluate the surface area and pore size distribution of the samples. Brunauer-Emmett-Teller (BET) surface area analysis was conducted to obtain precise data on the specific surface area, offering insights into the extent of the available surface for adsorption. Additionally, the pore size distribution was carefully assessed to characterize the porosity of the metal-modified carbons, providing a deeper understanding of their structural properties and potential influence on hydrogen storage performance.The hydrogen uptake capacity of the metal-modified activated carbon samples was evaluated at 77 K across a pressure range from ambient to 1 bar. The results revealed significant differences in hydrogen storage capacities based on the type of metal ion used for modification. Notably, the activated carbon samples modified with nickel (Ni) and cobalt (Co) ions demonstrated the highest hydrogen storage capacities, with uptakes approaching 5%. In contrast, the copper (Cu) modified carbon showed the lowest hydrogen uptake capacity.These findings emphasize the substantial impact that metal ion modification has on the hydrogen storage performance of activated carbon. The superior performance of the Ni- and Co-modified carbons suggests their strong potential for practical applications in hydrogen storage technologies. Furthermore, this study underscores the broader significance of metal ion modifications in enhancing the properties of activated carbon, positioning it as a promising material for a wide range of advanced technological applications. References Biehler, E.; Quach, Q.; Abdel-Fattah, T.M. ECS J. Solid State Sci. 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Tailoring the innovative Lu2CrMnO6 double perovskite nanostructure as an efficient electrode materials for electrochemical hydrogen storage application