Potential Hydrogen Storage Material Research Articles

Hydrogen storage mechanism of metal–organic framework materials based on metal centers and organic ligands

AbstractThe effective storage and utilization of hydrogen energy is expected to solve the problems of energy shortage and environmental pollution currently faced by human society. Metal–organic framework materials (MOFs) have been shown by scientists to be very potential hydrogen storage materials. However, the current design methods and strategies for MOFs are still generally in the trial‐and‐error stage, and the research works are at the overall level. To solve the problems of directional design and rational construction of new MOFs, this work uses the principles and methods of coordination chemistry and crystal engineering to carry out the theoretical design and mechanism research of new MOFs for high‐efficiency hydrogen storage application scenarios. In this study, the structures selected for theoretical calculation were divided into two types: different ligands for the same metal (IRMOFs, MOF‐205, and DUT‐23‐Zn) and different metals for the same ligand (DUT‐23‐M [(M = Co, Ni, Cu, and Zn]). The model construction process, hydrogen loading with temperature, specific surface area, hydrogen adsorption energy, charge density and hydrogen storage mechanism of the above structures were analyzed, and the key indicators that may affect the hydrogen storage performance of MOFs were summarized: type and quantity of coordination metals, temperature, pressure, adsorption site and specific surface area.

Tailoring magnesium-based hydrides as potential and reversible materials for solid-state hydrogen storage: A first-principles study

Hydrogen is a promising candidate for green energy sources for future endeavors because of its abundance on Earth. Although its storage is a major challenge for the researchers of this era because of its unsafe and highly explosive nature. The structural, optoelectronic, thermoelectric, vibrational, thermodynamic properties and hydrogen storage capacity of XMgH3 ([Formula: see text], Ba) are carried out by using the full potential linearized augmented plane wave (FP-LAPW) method in the DFT framework. The theoretical study about these magnesium-based metal hydride perovskites, i.e., SrMgH3 and BaMgH3, declares them structurally stable compounds in space group Pm-3m. The optimization graph for SrMgH3 and BaMgH3 reflects the lowest ground state energy, i.e., −6759[Formula: see text]Ry and −16683[Formula: see text]Ry, respectively. Comparatively, BaMgH3 seems to be more stable. The electronic band structures and density of states declare them pure metallic due to zero band gap and overlapping of electronic states of the valence and the conduction bands. The electrical conductivity of BaMgH3 increases up to [Formula: see text] and thermal conductivity [Formula: see text] in the temperature range 100[Formula: see text]K to 1000[Formula: see text]K revealing the good metallic character of BaMgH3. The optical analysis portrays the absorption of compounds in the visible range along with valance shell electrons to the weak bond of hydrogen and dissociates hydrogen molecules at a certain intensity of light. BaMgH3 compound shows minimum scattering and maximum absorption of light in the visible region up to 3[Formula: see text]eV. The reflectivity peaks in the visible region 3.0[Formula: see text]eV show that 40% of light energy is absorbed due to the opaque nature of BaMgH3. Both these compounds are declared thermodynamically stable due to negative free energy such as −1.20[Formula: see text]eV for SrMgH3 and −1.50[Formula: see text]eV energy for BaMgH3 at 1000[Formula: see text]K, respectively. Moreover, the three acoustic modes showing zero imaginary phonon frequencies at [Formula: see text] symmetry points predict these compounds’ structural and thermodynamical stability. The gravimetric hydrogen storage concentration of SrMgH3 and BaMgH3 is determined as 2.637% and 1.836%, respectively.

Yttrium decorated fullerene C30 as potential hydrogen storage material: Perspectives from DFT simulations

Yttrium decorated fullerene C30 as potential hydrogen storage material: Perspectives from DFT simulations

3D porous polymers for selective removal of CO2 and H2 storage: experimental and computational studies.

In this article, newly designed 3D porous polymers with tuned porosity were synthesized by the polycondensation of tetrakis (4-aminophenyl) methane with pyrrole to form M1 polymer and with phenazine to form M2 polymer. The polymerization reaction used p-formaldehyde as a linker and nitric acid as a catalyst. The newly designed 3D porous polymers showed permanent porosity with a BET surface area of 575m2/g for M1 and 389m2/g for M2. The structure and thermal stability were investigated by solid 13C-NMR spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy, and thermogravimetric analysis (TGA). The performance of the synthesized polymers toward CO2 and H2 was evaluated, demonstrating adsorption capacities of 1.85mmol/g and 2.10mmol/g for CO2 by M1 and M2, respectively. The importance of the synthesized polymers lies in their selectivity for CO2 capture, with CO2/N2 selectivity of 43 and 51 for M1 and M2, respectively. M1 and M2 polymers showed their capability for hydrogen storage with a capacity of 66cm3/g (0.6wt%) and 87cm3/g (0.8wt%), respectively, at 1bar and 77K. Molecular dynamics (MD) simulations using the grand canonical Monte Carlo (GCMC) method revealed the presence of considerable microporosity on M2, making it highly selective to CO2. The exceptional removal capabilities, combined with the high thermal stability and microporosity, enable M2 to be a potential material for flue gas purification and hydrogen storage.

Li-decorated 2D Irida-graphene as a potential hydrogen storage material: A dispersion-corrected density functional theory calculations

In this research, density functional theory with van der Waals (vdW) dispersion-corrected method is employed to systematically investigate H2 adsorption behaviors on Li-decorated two-dimensional (2D) Irida-graphene (IG). Our results expose that the adsorption performance between H2 and original IG is extremely weak, while Li-decorated IG can significantly promote H2 adsorption capability. Due to a large binding energy, Li atoms strongly bind on the top of octagonal carbon-ring of IG and prevent decorated Li atoms from aggregation. Moreover, single-sided Li decorated IG and double-sided Li decorated IG can adsorb up to 16H2 molecules and 24H2 molecules with the corresponding H2 adsorption energy of −0.230 eV/H2 and −0.276 eV/H2, respectively. Meanwhile, the calculated H2 adsorption energy for each H2-adsorbed Li-decorated IG configuration falls into the range of −0.1 eV/H2 and −0.4 eV/H2 for reversible hydrogen storage. In addition, the obtained hydrogen storage gravimetric density achieves 7.06 wt%, which surpasses the latest standard of 6.5 wt% established by U.S. Department of Energy (DOE). These findings reveals Li-decorated IG can be served as an outstanding hydrogen storage material for on board mobile applications.

First-principles investigations for the hydrogen storage properties of XVH3 (X=Na, K, Rb, Cs) perovskite type hydrides

The structural, mechanical, electronic, kinetic, thermodynamic, optical and hydrogen storage properties of new perovskite hydrides XVH3 (X = Na, K, Rb, Cs) were investigated using density functional theory (DFT). The calculation of formation energy and elastic constants shows that the XVH3 compounds have thermodynamic and mechanical stability. The calculation of the B/G ratio revealed that these hydrides are brittle materials. Furthermore, the bonding type of these hydrides was found to be closer to ionic bonding. These compounds were found to be insulators with ferromagnetic properties in terms of their electronic properties. Furthermore, Bader partial charge analysis was utilized to investigate their charge transfer properties. The optical properties analysis demonstrated that these hydrides exhibit high absorption rates in ultraviolet region. The dynamic stability of these crystals was determined by analyzing their phonon dispersion curves, also their thermodynamic properties, including heat capacity, entropy, energy and free energy as a function of temperature, were studied. Furthermore, this study investigated the hydrogen storage capacity of XVH3 compounds. The results indicated that NaVH3, KVH3, RbVH3 and CsVH3 had hydrogen storage capacities of 3.78, 3.15, 2.12 and 1.59 wt%, respectively. This study is the first to explore XVH3 perovskite hydrides and provides new potential hydrogen storage material options.

Decorating crystalline YFe2–xAlx on the Mg60La10Ni20Cu10 amorphous alloy as “hydrogen pump” to realize fast de/hydrogenation

Mg-based amorphous alloys are one of the potential hydrogen storage materials but suffer from sluggish dehydrogenation/hydrogenation (de/hydrogenation) kinetics. In this work, as a new strategy, a hydrogen pump is built on the surface of amorphous alloys to solve this problem. By milling crystalline YFe2–xAlx hydrogen storage alloy with Mg60La10Ni20Cu10 amorphous alloy, fine crystalline particles were seeded on amorphous alloy powder to form a “strawberry” structure. According to the TEM observation, a metallurgical bonding boundary formed between the Mg-based amorphous matrix and the Y-Fe-Al crystalline alloy. By microstructure and de/hydrogenation kinetics investigation, the “hydrogen pump” effect of the seeded crystalline alloy was confirmed, which makes it much easier for the hydrogen to dissociate on and diffuse through the surface of the Mg-based amorphous alloy. With such effect, the H absorption rate of Mg60La10Ni20Cu10 amorphous alloy became almost eight times faster and it absorbs ∼2.8 wt.% in 1 h at 130 °C under 4.5 MPa-H2. Further, fast hydrogenation can even achieve at 70 °C and the low-temperature dehydrogenation kinetics of the amorphous hydride can be also greatly promoted. The present work proves that surface modification is of great importance for obtaining Mg-based amorphous alloy with ideal hydrogen storage performance.

Ammonia Decomposition over Alkali Metal (Li, K, Cs)-Promoted Bulk Mo2N Catalyst

Ammonia (NH3), which has a 17.7 wt% gravimetric hydrogen density, has been considered as a potential hydrogen storage material. This study looked at the thermocatalytic decomposition of NH3 using a bulk Mo2N catalyst that was boosted by alkali metals (AM: 5 wt% Li, K, Cs). The K-Mo2N catalyst outperformed all other catalysts in this experiment in terms of catalytic performance. At 6000 h−1 GHSV, 100% conversion of NH3 was accomplished using the K-Mo2N, Cs-Mo2N, and Mo2N catalysts. However, when compared to other catalysts, K-Mo2N had the highest activity, or 80% NH3 conversion, at a lower temperature, or 550 °C. The catalytic activity exhibited the following trend for the rate of hydrogen production per unit surface area: K-Mo2N > Cs-Mo2N > Li-Mo2N > Mo2N. Up to 20 h of testing the K-Mo2N catalyst at 600 °C revealed no considerable deactivation.

Hydrogen storage properties of Mg0.10Ti0.30V0.25Zr0.10Nb0.25 lightweight high entropy alloy: A theoretical study

In the past several years, Mg-based high entropy alloys (HEAs) have attracted great attention in high gravimetric hydrogen storage capacity. In this work, the hydrogen storage properties of Mg0.10Ti0.30V0.25Zr0.10Nb0.25 HEA are investigated by first-principles calculations. With increasing hydrogen concentration, the structural stability of BCC and FCC hydrides decreases and increases, respectively. By comparing the lattice constants, number of hydrogenation-induced abnormal short hydrogen-hydrogen bonds and radial distribution functions of BCC and FCC hydrides, it is found that the hydrogen accommodation ability of BCC phase is weaker than that of FCC phase, and a BCC to FCC phase transformation occurs during hydrogenation process. Further total energy calculations suggest that the threshold hydrogen content of phase transformation for Mg0.10Ti0.30V0.25Zr0.10Nb0.25 is around H/M = 1.16. By phonon spectra calculation, the maximum gravimetric hydrogen storage capacity of Mg0.10Ti0.30V0.25Zr0.10Nb0.25 is predicated to be as high as 3.16 wt%, demonstrating that Mg0.10Ti0.30V0.25Zr0.10Nb0.25 HEA is a potential hydrogen storage material.

Study on the catalytic thermal decomposition of metal-hydride (NaH) to enhance the hydrogen desorption characteristics

BackgroundSodium hydride (NaH) is considered a potential hydrogen storage material to generate hydrogen for fuel cell applications. The thermal decomposition required higher temperature, and a significant portion of NaH remains undecomposed. Thus, a suitable catalyst is required to lower the decomposition temperature and increase the hydrogen generation rate. ResultA series of catalyst/NaH hydrogen storage materials were systematically investigated. The facile solution method was used to synthesize the composite material with CaO, CaF2, and CaCl2 as catalysts. The hydrogen generation via thermolysis from the composite material was studied using in-situ flow reactors. The generated hydrogen was quantified using a gas chromatograph (GC). Adding CaO (catalyst) was beneficial to lower the thermolysis temperature of NaH, and the hydrogen generation increased from ∼0.31 wt% to ∼1.94 wt% at 100 °C. The CaO assisted in the dispersion of NaH and lowered the activation energy to decompose and generate more hydrogen by thermolysis at low temperatures. The synthesized composite materials were characterized by X-ray diffraction (XRD), Thermogravimetric analysis (TGA), Raman spectroscopy, and Fourier Transform Infrared spectroscopy (FT-IR) studies. ConclusionThe generation of hydrogen was ∼1.94 wt% with 10CaO/NaH >1.68 wt% with 5CaO/NaH >1.61 wt% with 15CaO/NaH >1.41 wt% with 20CaO/NaH >0.31 wt% with pure NaH at 100 °C.

Synthesis of prussian blue analogue derived porous Mo2C/Co9S8/N-doped carbon composite for electrochemical hydrogen storage application

The Prussian blue analogue Co3[Co(CN)6]2 (Co-CoPBA) nanoparticles with three-dimensional cubic structure and uniform size were prepared via precipitation method. Using Co-CoPBA as the precursor, the porous Co9S8/N-doped carbon (Co9S8–CN) nanostructure was formed after heat treatment and sulfidation processes. To further improve the electrocatalytic activity of the composite, Mo2C was introduced within the porous Co9S8–CN. The Mo2C/Co9S8–CN materials containing different contents of Mo2C were prepared via high-temperature calcination and subsequent sulfidation. Ultimately, for electrochemical hydrogen storage, the porous Co9S8–CN exhibited higher discharge capacity than conventional Co9S8 prepared by hydrothermal method. The special porous structure and large specific surface area derived from Co-CoPBA provided more electrochemical active sites. The conductivity of Co9S8 was enhanced due to the existence of N-doped carbon. Additionally, the electrochemical performance further enhanced owing to the excellent electrocatalytic activity of the embedded Mo2C species. The Mo2C/Co9S8–CN2 electrode showed an optimum discharge capacity of 647.4 mAh/g. Moreover, the high-rate dischargeability (HRD), corrosion resistance and kinetic properties were also improved after Mo2C loading. Consequently, Mo2C/Co9S8–CN can be used as a potential electrochemical hydrogen storage material.

Synthesis, characterization, and electrochemical evaluation of SnFe2O4@MWCNTS nanocomposite as a potential hydrogen storage material

The widespread use of hydrogen as a vehicle fuel has prompted us to develop a new nanocomposite by immobilizing of tin ferrite nanoparticles (SnFe2O4) on the surface of multi-walled carbon nanotubes (abbreviated as MWCNTS) for the first time. The prepared nanocomposite powder (SnFe2O4@MWCNTS) was investigated utilizing various microscopy and spectroscopy methods, such as FT-IR, XRD, SEM, EDX, and BET techniques. Moreover, the electrochemical property of SnFe2O4@MWCNTS nanocomposite was investigated by cyclic voltammogram (CV) and charge–discharge chronopotentiometry (CHP) techniques. A variety of factors on the hydrogen storage capacity, such as current density, surface area of the copper foam, and the influence of repeated hydrogen adsorption-desorption cycles were assessed. The electrochemical results indicated that the SnFe2O4@MWCNTS has high capability and excellent reversibility compared to SnFe2O4 nanoparticles (NPs) for hydrogen storage. The highest hydrogen discharge capability of SnFe2O4@MWCNTs was achieved ∼ 365 mAh/g during the 1st cycle, and the storage capacity enhanced to ∼ 2350 mAh/g at the end of 20 cycles using a current of 2 mA. Consequently, the SnFe2O4@MWCNTS illustrated great capacity as a prospective active material for hydrogen storage systems.

High-symmetry core-shell B12@Ca20C12: A nanocluster-based hydrogen storage material

Since the discovery of C60 fullerene, scientists devoted themselves to searching novel clusters. Among them, the high-symmetry clusters, especially clusters with Ih symmetry, has drawn increasing attention due to their special properties and stabilities. Here, a stable core-shell B12@Ca20C12 with Ih symmetry, which is featured as an icosahedral Ih-B12 centered on the dodecahedron Ca20C12, has been identified using first principles calculations. Its stability has been further confirmed by vibrational frequency analysis with the highest frequency of 834.9 cm−1 and the lowest frequency of 93.7 cm−1. Besides, molecular dynamics simulations indicate that its core-shell structure cannot be destroyed at 325 K under NVT ensembles with Nosé-Hoover chain thermostat. As for the electronic structure, 64 multi-center two-electron bonds were observed throughout the entire core-shell B12@Ca20C12 to keep the cluster maintain its core-shell configuration. More importantly, the core-shell B12@Ca20C12 can storage about 77 H2 molecules by closed-shell interactions with an average adsorption energy of −0.16 eV/H2, resulting in the gravimetric hydrogen density of 12.6 wt%. Based on these results we infer that core-shell B12@Ca20C12 is a potential high-capacity hydrogen storage material and might promote positive experimental efforts in designing excellent hydrogen storage materials.

The hydrogen storage capacity of carbon nano-onions fabricated by thermal chemical vapour deposition

Hydrogen is a promising energy source for resolving the world's energy demands without releasing pollution, but storing hydrogen poses a significant challenge. Carbon materials such as activated carbon (AC), carbon nanotubes (CNT), carbon nanofibers (CNF), carbon nano-onions (CNOs) and graphene are potential substrate materials for hydrogen storage through physisorption/chemisorption due to their large surface areas and the ability to bind hydrogen. We investigate the hydrogen storage capacity of CNOs synthesized through thermal chemical vapour deposition using acetylene in this paper. SEM and XRD analysis revealed that the CNOs are spherical and comprised 18 shells at 850 °C and 7 shells at 1000 °C. However, the CNO interlayer thickness increased from 3.42 to 3.58 A0, which has a significant impact on the physisorption process. Functionalized CNOs were studied for their hydrogen storage capacities at 77 K and 1.5 atm, demonstrated a hydrogen storage capacity of 18.2%. The BET measurements revealed that the CNOs samples have a surface area of 642 m2/gm and FTIR showed a significant increase in –OH and –CH bond vibrations. Desorption studies of hydrogen reveal primarily two stages. The removal of hydrogen from CNO requires a first-stage activation energy of 6 kJ/mol and a second-stage activation energy of 127 kJ/mol, confirming the presence of both physiosorbed and chemisorbed hydrogen. This study found that hydrogen storage capacity of CNOs is extremely promising, and has a potential for mobile applications.

Highly symmetrical B12@Mg20C12 with icosahedral B12 motif: A potential hydrogen storage medium

A highly symmetrical core–shell Ih B12@Mg20C12 structure containing icosahedral B12 motif has been proposed in the framework of density functional theory. The core–shell B12@Mg20C12 structure has good kinetic and thermodynamic stability, which is verified by vibrational frequency analysis and molecular dynamics simulations, respectively. The analysis of the electronic structure shows that multiple atoms are connected into a whole by multi-center two-electron σ bonds, which is also the fundamental reason for the structure stability. Raman and photoelectron spectroscopy are simulated theoretically to provide characterizations for future experiments. The core–shell B12@Mg20C12 structure is a potential hydrogen storage material, which can absorb about 72 H2 molecules with a hydrogen capacity as high as 16.0 wt%.

Structural phase stability and thermodynamical properties of transition metal complex hydrides Na2MgTMH7 (TM=Sc−Cu) for hydrogen storage applications

In order to predict ground state structure as well as thermodynamical properties of transition metal-based complex hydrides (TMCHs) and identify potential hydrogen storage materials for energy storage applications, we have performed first-principles density functional spin polarized total energy calculations for Na2MgTMH7 where TM ​= ​Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. To investigate the thermodynamical properties of transition metal-based complex hydrides (TMCHs) and to find potential hydrogen storage materials for energy storage applications. Our spin-polarized calculations show that all these materials are having a finite magnetic moment at the transition metal site with ferromagnetic or anti−ferromagnetic ordering as ground state configuration except the cases where TM ​= ​Sc, Co, Ni, and Cu. Our calculated enthalpy of formation and hydrogen site energy of TMCHs suggest that these systems are stable and the hydrogen is expected to release at a relatively low temperature compared to that of pure binary hydrides. We have performed the chemical bonding analyses between the constituents of TMCHs through density of states, charge density, electron localization function, Born effective charge, Bader effective charge, Mulliken charge, and COHP and these analyses suggest that there is an ionic bonding between hydrogen with Na, Mg, and transition metal with noticeable covalent bonding between hydrogen and Mg/TM.

Is chitin a promising hydrogen storage material? A thorough quantum mechanical study

Due to their biodegradability and low toxicity, biopolymers have drawn much research interest in the field of material science. The stability of the biopolymers due to existence of strong intermolecular hydrogen bonding makes these materials more promising as suitable adsorbents. In the current study, chitin has been explored as potential hydrogen storage material using density functional theory calculations. The presence of several heteroatoms on the surface of adsorbent makes it suitable for hydrogen adsorption. Thirty hydrogen molecules are adsorbed at six available sites on monomeric chitin, making it a promising naturally available hydrogen storage material. Natural bond orbital analysis and surface analysis reveal that hydrogen is adsorbed on the substrate by charge transfer from heteroatom on the adsorbent to the adsorbed hydrogen molecule. Independent gradient model analysis and atoms-in-molecules analysis have revealed the weak dispersion forces between the adsorbate and the adsorbent. The adsorbent also exhibits high gravimetric density (∼27%) and the adsorption process is thermodynamically favorable.

Prediction of hydrogen uptake of metal organic frameworks using explainable machine learning

Metal organic frameworks (MOFs) are considered as potential materials for hydrogen storage. The hydrogen uptake is influenced by several parameters (e.g., temperature, pressure, isosteric heat of adsorption, BET surface area). Of late, machine learning (ML) technique is used to assess the role of input features on the prediction. In the present study, a few ML models are selected, trained, and evaluated. The best and least performing models are tuned for hyperparameters. The results show that hyperparameter tuning (HPT) significantly increases the coefficient of determination (R2) of the least-performing model, the support vector regression (SVR). In contrast, the improvement in R2 with HPT is marginal for the best-performing model, the extra tree (ET), with a mean absolute error (MAE) of 0.088 wt% and R2 of 0.9945. The predictions made by the hyperparameter tuned extra tree model are explained using the Shapley additive explanations (SHAP) and contours together. The order of importance of input features in predicting the hydrogen uptake is identified as follows: temperature, pressure, isosteric heat of adsorption, and BET surface area. The SHAP dependence plots suggest that pressure is the common interactive feature among the input features in predicting hydrogen uptake. The present study helped understand the role of input features collectively in predicting the hydrogen uptake of MOFs.

Enhanced reversibility of fluorine substituted bis-BN cyclohexane for hydrogen storage: A first-principles approach

Liquid organic hydrogen carrier (LOHC) technology, in which hydrogen is captured in a liquid-phase compound, is a key enabler in realizing hydrogen economy. Among the LOHC materials, bis-BN cyclohexane is thermodynamically stable at 150°C and does not release detectable volatile contaminants during catalytic dehydrogenation at room temperature. In this study, we identified other potential bis-BN cyclohexane-based hydrogen storage materials with improved dehydrogenation efficiency and reversibility using density functional theory (DFT) calculations. The dehydrogenation mechanisms of bis-BN cyclohexane with and without functional group (F, Cl, NH2, CH3, and CN) substitutions were investigated by calculating the reaction enthalpies and free energies. With the Pt catalyst surface, F-bis-BN cyclohexane has slightly lower dehydrogenation reaction efficiency than the existing bis-BN cyclohexane; however, it was found that the efficiency of the reverse reaction of hydrogenation is significantly improved owing to the F substitution in bis-BN cyclohexane. Therefore, F-bis-BN cyclohexane can exhibit enhanced reversible dehydrogenation–hydrogenation cycles in the presence of a Pt catalyst and is expected to be suitable as an alternative hydrogen carrier. Details of dehydrogenation reaction pathways with activation energies and electronic properties of the dehydrogenation mechanisms have also been discussed herein.

Ultrafine Pt nanoparticles anchored on core-shell structured zeolite-carbon for efficient catalysis of hydrogen generation.

Ammonia borane (AB) is a potential hydrogen storage material with high-efficiency hydrolytic dehydrogenation under a suitable catalyst. Noble metal catalysts have drawn a lot of attention. In this study, a carbon-coated zeolite was obtained by calcination at high temperatures using glucose as a carbon source. Pt nanoparticles were fixed on a core-shell composite support by a simple chemical reduction method. A series of catalysts were prepared with different synthesis parameters. The results show that PSC-2 has excellent catalytic performance for hydrolytic dehydrogenation of AB in alkaline solution at room temperature, and the turnover frequency (TOF) is 593 min-1. The excellent catalytic performance is attributed to the carbon layer on the zeolite surface which inhibits the aggregation or deformation of metals in the catalytic reaction. The metal-support interaction activates the water and accelerates the rate-limiting step of hydrolysis. The activation energy (E a = 44 kJ mol-1) was calculated based on the reaction temperature. In addition, the kinetics of AB hydrolysis was studied, and the effects of catalyst concentration, AB concentration and NaOH concentration on AB hydrolysis rate were further investigated. The high-efficiency catalyst prepared in this work provides a new strategy for the development of chemical hydrogen production in the field of catalysis.