On-board Hydrogen Storage Research Articles

Ca-decorated holey graphyne for reversible hydrogen storage: Insights from DFT analysis

We theoretically examine the hydrogen storage capabilities of a newly synthesized carbon allotrope known as holey graphyne (HGY). HGY exhibits weak interaction with H2, making it unsuitable for storage, thus prompting surface modification. Ca binds to HGY with a binding energy of −2.03 eV and experiences a diffusion energy barrier of 1.49 eV. The supercell of HGY accommodates six Ca atoms, and each Ca atom binds five H2 with an average binding energy of −0.27 eV, resulting in an uptake capacity of 12.07 wt% and desorption temperature of 331K at 5 bar. AIMD simulation and positive phonon frequencies confirms thermal and dynamic stability of Ca-decorated HGY. RDG analysis reveals electrostatic interactions between Ca and HGY, and van der Waals interactions between H2 and Ca. Thus, Ca-decorated HGY shows exceptional uptake capacity, desirable adsorption energy and desorption temperature, making it a suitable material for on-board reversible hydrogen storage in light vehicles.

Study on the rapid decompression rate of PA6 liner material of type IV on-board hydrogen storage cylinders

Investigations were carried out in this paper to study the influence of rapid decompression rate on the polyamide 6 (PA6) liner materials through experimental and numerical methods. Firstly, hydrogen permeation tests at different pressures were conducted to obtain the functions representing the trend of permeation parameters with the pressure. Then decompression tests at different decompression rates had been carried out to get whitening specimens which would be observed using scanning electron microscopy (SEM). Cavitation was found and the variety of the number of cavities with the decompression rate was recorded. It was found that the faster the decompression rate was, the higher the number of cavities in the specimen was. Thirdly, to determine the hydrogen concentration throughout the specimen and numerically check if cavitation occurred at various decompression rates, a 2D finite element model was established which introduced the permeation parameters as functions of pressure but not temperature, as another numerical model indicated the temperature field of specimens changed little. Then an approach was proposed to successfully implement the risk assessment of cavitation, and the liner material was considered as elastoplastic neglecting its viscoelasticity-viscoplasticity. Based on the assumptions and experimental conditions in the study, the Mises yield criterion was successful to assess the cavitation risk, and the approach was verified as the analysis results about the cavitation agree well with the SEM observations. In the end, based on the approach, it could be concluded that 11h was the critical safe decompression time for the PA6 material in this study, and the decompression rate was 7.95 MPa/h. The approach in this study can also be used as guidelines for the cavitation risk assessment of other systems and materials undergoing rapid decompression.

Maximizing Onboard Hydrogen Storage Capacity by Exploring High-Strength Novel Materials Using a Mathematical Approach.

Hydrogen fuel holds promise for clean energy solutions, particularly in onboard applications such as fuel cell vehicles. However, the development of efficient hydrogen storage systems remains a critical challenge. This study addresses this challenge by exploring the potential of high-strength novel materials, including glass, to maximize onboard hydrogen storage capacity. A mathematical approach was employed to evaluate the feasibility and efficacy of various high-strength materials for hydrogen storage. This study focused on capillary arrays as a promising storage medium and utilized mathematical modeling techniques to estimate the storage capacity enhancement achievable with different materials. The analysis revealed significant variations in storage capacity enhancements in different high-strength novel materials, with glass having promising results. Glass-based materials demonstrated the potential to meet or exceed US Department of Energy (DOE) targets for both gravimetric and volumetric hydrogen storage capacities in capillary arrays. By leveraging a mathematical approach, this study identified high-strength novel materials, including glass and polymers, capable of substantially improving onboard hydrogen storage capacity: 29 wt.% with 40 g/L for quartz glass and 25 wt.% with 38 g/L for Kevlar compared to 5.2 wt.% with 26.3 g/L from a conventional type IV tank. These findings underscore the importance of material selection in optimizing hydrogen storage systems and provide valuable insights for the design and development of next-generation hydrogen storage technologies for onboard applications.

A structural mechanics analysis on a Type IV hydrogen storage tank during refueling and discharging

High-pressure hydrogen gas, as a power generation fuel widely used in transportation, has significantly contributed to the development of hydrogen fuel cell electric vehicles. However, obvious temperature rise and drop during fast refueling and discharging cause serious safety risk to the structural stability of on-board hydrogen storage tank. The American Society of Automotive Engineers SAE J2601 and the international standard ISO 15869 strictly stipulate that the operation temperature range of hydrogen storage tank varies from −40 °C to 85 °C. In this study, a finite element mechanics model was constructed using ACP and Static Mechanical software to better understand the deformation, stress, strain, and failure modes experienced by a Type IV tank during charging and discharging. Detailed parameters such as ply angle, ply thickness, mesh generation, and boundary conditions, were extensively elucidated. The results indicate that the high temperature and pressure generated during fast fueling of the storage tanks are less likely to cause yield failure of the inner, outer layers and plug, but the stress concentration caused by low temperature and high pressure may lead to the fracture rupture of internal polyethylene materials. Aluminum alloy plug, serving as sealing devices for the tank, are most susceptible to yielding failure under coupled conditions. The mechanical load reaching the yield stress of the plug is approximately 85 MPa with the nominal working temperature of 85 °C. Additionally, the maximum stress on the outer layer can be reduced by adjusting the circumferential layer direction from 90° to 70° or by optimizing the orientation of the maximum stress layer increasing it by 110°. The present study can offer new insights into the dynamic loading behavior of the Type IV tanks during fast charging and discharging, and may provide technical references for optimization design of the tank structures.

From nanorods to nanoparticles: Morphological engineering enables remarkable hydrogen storage by lithium borohydride

Nanostructured LiBH4 with greatly improved de-/hydrogenation thermodynamics and kinetics has been attracting the ever-growing interest for on-board hydrogen storage applications. However, it is challenging to controllably fabricate various nanostructures of LiBH4 due to its strong reducibility, high chemical activity and sensitivity to water and oxygen. Here, we demonstrate the very first success in tailoring the nanoscaled LiBH4 morphology from nanorods to nanoparticles by using few-layer graphenes (FL-Grs) as supporters. The presence of 30 wt% FL-Grs is optimal because it contributes not only substantial nucleation sites for LiBH4 nanoparticles but also sufficient catalytic activity for hydrogen storage in LiBH4. The resultant LiBH4-30 wt% FL-Grs displays 20–50 nm-sized particles in morphology, which enables the complete reversible storage of 7.2 wt% H2 starting from 230 ºC for desorption and 190 ºC for absorption along with a stable cyclability, greatly superior to pristine sample and even the nano-LiBH4/FL-Grs mixture. The somewhat particle growth as well as the segregation and isolation of B and LiH with cycling is reasonably responsible for the gradually slowed desorption/absorption kinetics. This important insight guides the design and development of nanostructured LiBH4-based composites featured high capacity and long life by combining nanometer size effect and catalytic effect.

Numerical simulation of high-pressure jet fire in on-board hydrogen storage cylinders under fire conditions

Hydrogen fuel cell vehicles (HFCVs) may cause fires in the event of an accident. When the high-pressure hydrogen storage cylinders are exposed to fire for a long time, there will be a risk of catastrophic consequences such as leakage, jet fire and explosion. Fire test is the main method to study the safety performance of hydrogen storage cylinders. During the firing process, the wall and internal temperature of the hydrogen storage cylinder rise gradually, and the thermally activated pressure relief device (TPRD) of the cylinder reaches a certain temperature and then releases high-pressure hydrogen to prevent the cylinder from bursting. As the hydrogen storage cylinder is in the fire environment, the release of high-pressure hydrogen will be ignited to form a jet fire and cause damage to personnel and equipment. In this paper, CFD software Fluent was used to numerically simulate the local fire test of the hydrogen storage cylinder with high-temperature air as the fire source. The variation law of cylinder wall temperature, gas temperature and pressure inside the cylinder, and the activation of TPRD were analyzed. At the same time, on the basis of the fire test simulation, a high-pressure hydrogen jet fire simulation numerical model caused by the TPRD action was established. The velocity field, temperature field and hydrogen concentration distribution of the jet fire were obtained, and the overpressure generated by the jet fire and the flame length size were analyzed. The results show that the high-pressure hydrogen released by TPRD was ignited under the fire condition to produce a jet flame and generated an overpressure in the jet direction, and the influence range of the overpressure was smaller than the influence range of the jet flame.

Effects of structure parameter and material property on thermal performance of on-board hydrogen storage tanks during fast refueling

As a power generation fuel, high-pressure hydrogen gas is widely used in transportation, and significantly contributed to development of hydrogen fuel cell electric vehicles. However, obvious temperature rise generated during fast refueling causes serious safety risk to reliable operation of fuel cell stacks. Therefore, it is necessary to conduct in-depth research on fast filling process. Based on safety reasons, the SAE J2601/ISO 15869 strictly regulates the maximum temperature limit of 85 °C in specifications for refueling hydrogen gas tanks. In this study, a 70 MPa, Type IV on-board hydrogen storage tank is adopted as the research object, and a 2-dimensional axisymmetric numerical model is established to study the temperature rise of the vapor within storage tanks during fast refueling. The Realizable k-ε turbulence model is employed to simulate high intensity turbulent fluctuation during fast filling. Considering the compressibility of vapor, the state of equation for real hydrogen gas is used by obtaining fluid thermodynamic properties from the National Institute of Standards and Technology database. Three groups of fast filling experiments are selected to validate the developed numerical model. The comparison result shows that the numerical model has good prediction ability on hydrogen fast refueling. The final mass average temperature differences between numerical results and experimental data are 2.6 K, 4.3 K, and 0.03 K, respectively. Based on the developed numerical model, the influences of structure parameters and material properties on the temperature rise of hydrogen storage tanks are investigated. The results indicate that the inlet diameter and wall thickness of the inner and outer layers of the storage tank have weaken impacts on the temperature rise during rapid charging, with the maximum temperature differences of 1.8 K, 0.74 K, and 0.54 K, respectively. Due to the influence of heat capacity, the material properties of different layers exhibit a similar variation trend. This work can deepen researchers' understanding of the temperature rise of on-board hydrogen storage tanks during fast filling, and provide technical references for the structural optimal design of tanks and rapid refueling at hydrogen stations.

Multi-objective optimization design of NPR protection shell for hydrogen storage tank

In order to improve the safety of on-board hydrogen storage tanks during collision, a protective shell based on a negative Poisson’s ratio (NPR) core is designed in this paper. After analyzing and comparing the crashworthiness of three typical honeycomb structures, the concave hexagonal negative Poisson’s ratio honeycomb is selected as the energy-absorbing inner core of the hydrogen storage tank protection structure. The sensitivity analysis of the structural parameters of the NPR shell is conducted through orthogonal tests to identify parameters with a significant impact on crash performance. These parameters are then used as experimental variables for subsequent optimization design. Subsequently, a response surface approximation model between the optimization objective and the structural parameters is established based on the response surface method. Finally, the adaptive simulated annealing algorithm (ASA), neighborhood cultivation genetic algorithm (NCGA), and non-dominated sorting genetic algorithm-II (NSGA-II) are used to optimize the structural parameters, and the optimization results are verified by the whole-vehicle crash simulation. The simulation results demonstrate that all three algorithms achieve better optimization results, among which NCGA is more advantageous in improving the overall performance of the protective shell. After NCGA optimization, the specific energy absorption of the protective shell increases by 19.75%, the maximum collision force of the rigid wall decreases by 23.63%, and the maximum stress of the hydrogen storage tank body decreases by 22.77%. These findings indicate that the designed protection shell effectively improves the crashworthiness of the hydrogen storage tank during collisions.

Impact morphology characteristics and damage evolution mechanisms in CFRP laminates for hydrogen storage cylinders

In instances of impact, the preeminent load-bearing framework for on-board hydrogen storage cylinders manifests in the carbon fiber reinforced polymer (CFRP) composite layer. Investigating the morphology of impact and elucidating the mechanism governing damage evolution in CFRP is crucial for optimizing the impact resistance of the cylinder. In this work, impact tests were performed on CFRP laminates with six types of interlaminar mismatch angles, under varying impact energies. The impact damage of laminates was characterized using an extended depth-of-field 3D microscopy. A numerical model, implemented in ABAQUS/Explicit, was devised to scrutinize the mechanical properties and damage mechanisms in laminates. A subroutine (VUMAT) was crafted to effectively predict intralaminar damage, while the application of a bilinear cohesive model served to capture interlaminar damage. In addition, this study delves into the ramifications of impact energy and interlaminar mismatch angles. The results reveal that the increase of impact energy leads to more irreversible damage and energy dissipation within laminates. Compared to damage depth (D) and cross-sectional area (Ac), the assessment of damage volume (V) and surface area (As) are more reflective of energy dissipation in laminates. The laminates with mismatch angle of 0° and “helicoidal” lay-up sequence exhibit the worst impact resistance. Within the range of 24°–90°, laminates with a smaller interlaminar mismatch angle demonstrate better impact resistance. These findings lay the groundwork for optimizing the composite layer to enhance the impact resistance of hydrogen storage cylinders.

Ball Milling Innovations Advance Mg-Based Hydrogen Storage Materials Towards Practical Applications.

Mg-based materials have been widely studied as potential hydrogen storage media due to their high theoretical hydrogen capacity, low cost, and abundant reserves. However, the sluggish hydrogen absorption/desorption kinetics and high thermodynamic stability of Mg-based hydrides have hindered their practical application. Ball milling has emerged as a versatile and effective technique to synthesize and modify nanostructured Mg-based hydrides with enhanced hydrogen storage properties. This review provides a comprehensive summary of the state-of-the-art progress in the ball milling of Mg-based hydrogen storage materials. The synthesis mechanisms, microstructural evolution, and hydrogen storage properties of nanocrystalline and amorphous Mg-based hydrides prepared via ball milling are systematically reviewed. The effects of various catalytic additives, including transition metals, metal oxides, carbon materials, and metal halides, on the kinetics and thermodynamics of Mg-based hydrides are discussed in detail. Furthermore, the strategies for synthesizing nanocomposite Mg-based hydrides via ball milling with other hydrides, MOFs, and carbon scaffolds are highlighted, with an emphasis on the importance of nanoconfinement and interfacial effects. Finally, the challenges and future perspectives of ball-milled Mg-based hydrides for practical on-board hydrogen storage applications are outlined. This review aims to provide valuable insights and guidance for the development of advanced Mg-based hydrogen storage materials with superior performance.

Hydrogen Safety by Design: Exclusion of Flame Blow-Out from a TPRD

Onboard hydrogen storage tanks are currently fitted with thermally activated pressure relief devices (TPRDs), enabling hydrogen to blowdown in the event of fire. For release diameters below the critical diameter, the flame from the TPRD may blow-out during a pressure drop. Flame blow-outs pose a safety concern for an indoor or covered environment, e.g., a garage or carpark, where hydrogen can accumulate and deflagrate. This study describes the application of a validated computational fluid dynamics (CFD) model to simulate the dynamic flame behaviour from a TPRD designed to exclude its blow-out. The dynamic behaviour replicates a real scenario. Flame behaviour during tank blowdown through two TPRDs with different nozzle geometries is presented. Simulations confirm flame blow-out for a single-diameter TPRD of 0.5 mm during tank blowdown, while the double-diameter nozzle successfully excludes flame blow-out. The pressure at which the flame blow-out process is initiated during blowdown through a single-diameter nozzle was predicted.

Research Progress and Application Prospects of Solid-State Hydrogen Storage Technology.

Solid-state hydrogen storage technology has emerged as a disruptive solution to the "last mile" challenge in large-scale hydrogen energy applications, garnering significant global research attention. This paper systematically reviews the Chinese research progress in solid-state hydrogen storage material systems, thermodynamic mechanisms, and system integration. It also quantitatively assesses the market potential of solid-state hydrogen storage across four major application scenarios: on-board hydrogen storage, hydrogen refueling stations, backup power supplies, and power grid peak shaving. Furthermore, it analyzes the bottlenecks and challenges in industrialization related to key materials, testing standards, and innovation platforms. While acknowledging that the cost and performance of solid-state hydrogen storage are not yet fully competitive, the paper highlights its unique advantages of high safety, energy density, and potentially lower costs, showing promise in new energy vehicles and distributed energy fields. Breakthroughs in new hydrogen storage materials like magnesium-based and vanadium-based materials, coupled with improved standards, specifications, and innovation mechanisms, are expected to propel solid-state hydrogen storage into a mainstream technology within 10-15 years, with a market scale exceeding USD 14.3 billion. To accelerate the leapfrog development of China's solid-state hydrogen storage industry, increased investment in basic research, focused efforts on key core technologies, and streamlining the industry chain from materials to systems are recommended. This includes addressing challenges in passenger vehicles, commercial vehicles, and hydrogen refueling stations, and building a collaborative innovation ecosystem involving government, industry, academia, research, finance, and intermediary entities to support the achievement of carbon peak and neutrality goals and foster a clean, low-carbon, safe, and efficient modern energy system.

Optimization of Inlet Hydrogen Temperature during the Fast-Filling Process Based on a Back Propagation Neural Network Model

A reasonable inflating strategy must be developed for filling an onboard hydrogen storage tank with hydrogen gas. The inflow hydrogen temperature has always been a constant value in filling cases. However, in our opinion, the optimal inflow hydrogen temperature is not supposed to be a fixed value but a value that constantly changes and adjusts with filling time, i.e., the inflow hydrogen temperature is a function of the filling time. How to determine this functional relationship is a critical problem to be addressed. Herein, an approach is introduced. A dual-zone model is presented to research the thermal effect during the process of charging hydrogen storage tanks. Based on the numerical results of the dual-zone model, the charging process was divided into three stages, allowing us to obtain data for 1331 filling cases. Then, a back propagation (BP) neural network model was built to analyze the data, and the implicit relationship between the inflow hydrogen temperatures and maximum hydrogen temperature pressure could be deduced. With this implicit relationship, the critical values of the inflow hydrogen temperatures can be obtained from the critical situation. Suppose the inflow hydrogen temperatures in a practical case are higher than the critical values. In that case, the highest hydrogen temperature in the tank will exceed the limited safety value of 358 K. In contrast, if the inflow hydrogen temperatures are lower than the critical values, then more energy will be needed to precool the inlet hydrogen temperature. Thus, theoretically, the critical inflow hydrogen temperatures should be at their optimal values.

Numerical simulation of leakage jet flame hazard of high-pressure hydrogen storage bottle in open space

The jet fire is a common type of fire accident in high-pressure hydrogen storage bottles. It is crucial to conduct research on the thermal radiation hazards resulting from on-board hydrogen storage bottle leaks, leading to jet fires within 35 MPa. Additionally, accurately and swiftly calculating the characteristic parameters of hydrogen jet flames, such as flame geometry and radiation heat flow, is of utmost importance. To study the jet fire hazard caused by high-pressure hydrogen storage cylinder leaks, a simplified model of the hydrogen storage cylinder was established using FLUENT software for numerical simulation analysis. The study analyzed the impact patterns of high-pressure hydrogen leakage jet flames under different scenarios, including leakage aperture, leakage pressure and ambient wind speed. The results demonstrate a positive correlation between the leakage aperture and pressure with the size of the jet flame and the extent of thermal radiation damage. The larger the leakage aperture and pressure, the larger the hydrogen jet flame size. The higher the peak value of the flame thermal radiation, the greater the hazard range. Additionally, the temperature of the stable axis of the jet flame rises with increasing leakage aperture. As the leakage pressure rises, the thermal radiation of the flame also increases. Conversely, as the ambient wind speed increases, the flame length, the burn radius, and the thermal radiation range decreases, but the high-temperature heat range expands. The empirical formula between flame length and leakage pressure and leakage aperture under different environmental wind speeds is obtained by data fitting, which can be used as a priori prediction of flame length under wind speed conditions.

Computational Design for Enhanced Hydrogen Storage on the Newly Synthesized 2D Polyaramid via Titanium and Zirconium Decoration.

2D polyaramid (2DPA) is a porous and polymeric material that has been synthesized recently. Titanium and zirconium decoration over 2DPA increases their affinity for hydrogen substantially, making them suitable for onboard and reversible hydrogen storage, particularly in light-duty vehicles. By decorating a single unit cell of 2DPA with two transition metal (TM) atoms, hydrogen storage of up to 6.422 and 6.792 wt % of H2 with average binding energies of -0.399 and -0.480 eV is predicted for 2DPA + Ti and 2DPA + Zr, respectively. The binding of Ti and Zr with 2DPA is accompanied by a flow of charge (-1.474e for Ti and -1.696e for Zr) from the TM toward the 2DPA sheet. Further, the interaction between H2 and the TM may proceed via Kubas interaction between the d orbital of the TM in 2DPA + TM and H 1s orbitals of H2, with a net flow of charge from the TM toward H2 (-0.218e for Ti and -0.391e for Zr). The desorption of H2 bound to 2DPA + Zr is endothermic (∼0.57 eV) and close in magnitude to the binding energy of the first H2 (∼-0.544 eV). The 2DPA + TM systems show structural and dynamic stability at high temperatures, as evident from ab initio molecular dynamics simulations and phonon spectra. The movement of TM atoms across the 2DPA sheet to form clusters may be hindered by the considerable barrier energy (∼4.9 eV for Ti). Through these systematic density functional theory simulations, we predict that Ti- and Zr-decorated 2DPA are high-performance hydrogen storage materials and can be explored by experimentalists.

Strength and fatigue study of on-board type III cryo-compressed hydrogen storage cylinder

Due to its better energy storage density and lower costs for storage, cryo-compressed hydrogen (CcH2) storage provides a wide range of research potential. Based on the grid theory, The type III CcH2 storage cylinder's layup scheme is created using the working environment for on-board hydrogen storage. The failure of the composite layer of gas cylinders was determined using the maximum stress criterion, and hydrodynamic bursting tests on small-volume gas cylinders were utilized to confirm that the design method was appropriate. The innermost layer of the ring winding is where the largest fiber stress is found, according to simulation studies. The load-bearing capacity of the cylinder is improved and can reach 115.1 MPa with layers in the order of [90/±11.8/90]. The equivalent stress and fiber stress ratio of the cylinder continuously drop as the autofrettage pressure rises, while the cylinder's fatigue life gradually lengthens.

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

In the quest of new absorbent for hydrogen storage, we investigate the capacities of slit pores formed by two BC3 sheets decorated with Li atoms. Their hydrogen storage capacities are determined using density-functional theory in conjunction with a quantum-thermodynamic model that allows to simulate real operating conditions, i.e., finite temperatures and different loading and depletion pressures applied to the adsorbent in the charge-delivery cycles. We show that the capacities of the adsorbed hydrogen phase of Li-decorated BC3 slit pores are larger than those reported recently for graphene and Li-decorated borophene slit pores. On the other hand, the usable volumetric and gravimetric capacities of Li-decorated BC3 slit pores can meet the targets stipulated by the U.S. Department of Energy (DOE) for onboard hydrogen storage at moderate temperatures and loading pressures well below those used in the tanks employed in current technology. In particular, the usable volumetric capacity for pore widths of about 10 Å meets the DOE target at a loading pressure of 6.6 MPa when depleting at ambient pressure. Our results highlight the important role played by the rotational degree of freedom of the H2 molecule in determining the confining potential within the slip pores and their hydrogen storage capacities.

Prospective life cycle inventory datasets for conventional and hybrid-electric aircraft technologies

Hybrid-electric aircraft represent a promising solution for the urgent need to decarbonize short-haul flights and bolster aviation sustainability. Nevertheless, the realization of hybrid-electric aircraft demands rigorous environmental impact analysis, given the substantial investments, time, and research required for technology development. This study offers a comprehensive life cycle inventory spanning the years 2030, 2040, and 2050 for both conventional and hybrid-electric aircraft configurations. Our inventory datasets are meticulously constructed through a systematic approach, ensuring data harmonization by drawing upon scientific literature, industry expertise, and primary data sources. This extensive dataset encompasses all pertinent systems necessary to model the environmental footprint of flights covering distances ranging from 200 to 600 nautical miles, utilizing a 50-passenger aircraft with the ATR42 as a reference model. Additionally, we furnish supplemental data for end-of-life considerations and uncertainty analysis. The systems under examination include the airframe, powertrain, power electronics and drives, batteries, fuel cells, hydrogen onboard storage, airport infrastructure, and battery charging stations. Notably, the carbon footprint of conventional aircraft aligns with data from the ecoinvent v3.8 database; however, our provided datasets are more than tenfold more detailed and incorporate a forward-looking perspective. These meticulously curated life cycle inventories can be amalgamated to simulate the potential environmental ramifications of conventional aircraft powered by kerosene or alternative aviation fuels, hybrid-electric aircraft utilizing battery technology, and hybrid-electric aircraft employing hydrogen as a fuel in conjunction with batteries. In this context, our findings play a pivotal role in nurturing the development of technology roadmaps that prioritize environmental sustainability within the realm of regional aviation.

Ultralow Pd bimetallic catalysts boost (de)hydrogenation for reversible H2 storage

The facile catalytic reversible (de)hydrogenation of liquid organic hydrogen carriers (LOHC) using a single catalyst holds great value for onboard hydrogen storage. Herein, we develop a bimetallic catalyst Pd1Ni based on nonnoble metal Ni with ultralow Pd of 0.05 wt%, which enables reversible (de)hydrogenation of NPC and supports multiple cycles of reversible hydrogen uptake and release. Notably, the bimetallic catalyst Pd1Ni exhibits more excellent catalytic performance on the dehydrogenation reaction of dodecahydro-N-propylcarbazole (12H-NPC) than the 1%Pd catalyst and similar catalytic performance on the hydrogenation reaction of NPC compared to the 1%Ru catalyst. The astonishing catalytic efficiency of Pd1Ni catalysts is due to the ideal electronic structure between ultralow Pd and Ni NPs allowing rapid interfacial electron transfer to intermediates, as revealed by structural analyses and density functional theory (DFT) computations.

Ni-based catalyst assisted by MnO to boost the hydrogen storage performance of magnesium hydride

Magnesium hydride (MgH2) stands out as a promising solid-state material for high-density hydrogen storage, offering enormous potential for applications in hydrogen transportation and storage. However, the stable thermodynamics and sluggish kinetics of dehydrogenation/hydrogenation of MgH2 impede its practical use in on-board hydrogen storage. In this study, the nanocomposite of nickel/manganese oxide (Ni/MnO) was successfully synthesized through the hydrogenation of nickel-manganese two-dimensional layered double hydroxide (NiMn-LDH) and then introduced into MgH2 by ball milling to form BM-MgH2-Ni/MnO composite. Notably, BM-MgH2-Ni/MnO-10 displayed excellent hydrogen absorption/dehydrogenation properties. For example, its onset hydrogen release temperature was remarkably reduced to 175.6 °C, 84 °C lower than that of BM-MgH2. At a temperature of 250 °C, it could desorb about 6.2 wt% of H2 within 60 min. The fully dehydrogenated product could absorb 5.5 wt% of H2 within 10 min at 150 °C. Moreover, BM-MgH2-Ni/MnO-10 exhibited excellent cycling performance. Throughout the cycling process, the in-situ formation of Mg2Ni/Mg2NiH4 and metal Mn was detected, leading to a synergistic effect that significantly enhanced the hydrogen storage capability of MgH2. This study presents innovative concepts for designing active catalysts to enhance the kinetics of de-/hydrogenation reactions of MgH2.