High-performance Bifunctional Catalysts Research Articles

Retraction Note: Co5.47 N/rGO@NF as a High-Performance Bifunctional Catalyst for Urea-Assisted Hydrogen Evolution

Retraction Note: Co5.47 N/rGO@NF as a High-Performance Bifunctional Catalyst for Urea-Assisted Hydrogen Evolution

Deep eutectic solvent-mediated synthesis of CuCo2O4 @ Sargassum tenerrimum derived carbon heterostructure as an efficient electrocatalyst for oxygen and hydrogen evolution reactions

Developing bifunctional electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) through simple, economical, and innovative methods is vital for sustainable energy conversion. Here, we showcase a green and sustainable approach for synthesizing CuCo₂O₄ - Sargassum Tenerrimum derived carbon composites (CCST) directly from fresh seaweed and a deep eutectic solvent (DES), marking its initial application in HER/OER. The successful transformation of seaweed and metal precursors into CCST was accomplished using a direct pyrolysis method at 900 °C in an inert atmosphere. Here, Seaweed granules acted as the carbon source, with DES employed for its multifunctional properties, including serving as a solvent, a structural template, and a catalyst for fostering material development. When these materials were assessed as electrocatalysts for OER in 1 M KOH media, the optimal catalyst (CCST-9 (1:2)) exhibited a low overpotential of 381 mV at 10 mA cm−2 with a Tafel slope of 44 mV dec−1. In addition, the same material achieved low overpotential of 383 mV at 10 mA cm−2 with a Tafel slope of 100 mV dec−1 when tested as an electrocatalyst for HER in 0.5 M H2SO4 media. Interestingly, CCST-9 (1:2) demonstrated excellent long-term stability in OER in 1 M KOH during a 24-h chronoamperometry test, with only a minor reduction in current density. The present study contributes new perspectives to the development of scalable and high-performance bifunctional catalysts, achieved through an environmentally friendly and cost-effective synthetic strategy.

Facile Synthesis of Metal/Carbide Hybrid toward Overall Water Splitting

The development of cost-effective and high-performance bifunctional catalysts for overall water splitting is crucial for achieving sustainable clean energy. In this study, a metal/carbide hybrid (NiFeMo/NiFeMoCx) was prepared through fast and facile cathodic plasma electrolytic deposition. Due to the synergistic effect between the metal and carbide, NiFeMo/NiFeMoCx exhibited high activity in both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER), with overpotentials of 230 mV and 60 mV at 10 mA cm−2, respectively. In addition, robust stability was demonstrated during the overall water splitting (1.52 V at 10 mA cm−2, with little degradation after 18 h of catalysis). This work provides a useful strategy for designing advanced water splitting catalysts for real application.

Construction of atom-scale Co/Fe/Ni M-N-C active sites within nitrogen-doped carbon spheres for high-performance bifunctional oxygen catalysts in rechargeable zinc-air batteries

Developing carbon-based catalysts with metal‑nitrogen‑carbon (M-N-C) active sites as efficient and low-cost bifunctional catalysts to replace precious metal catalysts for rechargeable zinc-air batteries devices has garnered significant attention. Herein, nitrogen-doped submicron carbon-based spherical bifunctional electrocatalysts (CNPD-CoFeNi) with abundant atom-scale Co/Fe/Ni M-N-C active sites and defects were synthesized. The introduction of massive amounts of Zn species increases the spatial distance of Co/Fe/Ni metal sites to prevent aggregation during pyrolysis, and the evaporation of Zn at high temperatures creates defects synergizing with M-N-C. Consequently, CNPD-CoFeNi possesses a stable carbon-based spherical structure, high electrical conductivity, rich nitrogen content, abundant atom-scale Co/Fe/Ni M-N-C active sites, and defects, displaying outstanding durability, oxygen reduction reaction (ORR) activity with a half-wave potential of 0.87 V, and satisfactory OER performance, surpassing or comparable with the state-of-art Pt/C and RuO2, respectively. Notably, liquid Zn-air batteries with CNPD-CoFeNi catalyst exhibit an exceptional high peak power density of 146.5 mW cm−2 and stable charge-discharge cycling over 270 h, outperforming Pt/C-RuO2 based devices. Additionally, the all-solid-state Zn-air battery also displays satisfactory practicability and stability. The synthesis strategy and its remarkable results provide valuable guidance and inspiration for the future advancement of precious metal substitutes in ORR/OER and rechargeable zinc-air batteries.

Complementary Multisite Turnover Catalysis toward Superefficient Bifunctional Seawater Splitting at Ampere-Level Current Density.

The utilization of seawater for hydrogen production via water splitting is increasingly recognized as a promising avenue for the future. The key dilemma for seawater electrolysis is the incompatibility of superior hydrogen- and oxygen-evolving activities at ampere-scale current densities for both cathodic and anodic catalysts, thus leading to large electric power consumption of overall seawater splitting. Here, in situ construction of Fe4N/Co3N/MoO2 heterostructure arrays anchoring on metallic nickel nitride surface with multilevel collaborative catalytic interfaces and abundant multifunctional metal sites is reported, which serves as a robust bifunctional catalyst for alkaline freshwater/seawater splitting at ampere-level current density. Operando Raman and X-ray photoelectron spectroscopic studies combined with density functional theory calculations corroborate that Mo and Co/Fe sites situated on the Fe4N/Co3N/MoO2 multilevel interfaces optimize the reaction pathway and coordination environment to enhance water adsorption/dissociation, hydrogen adsorption, and oxygen-containing intermediate adsorption, thus cooperatively expediting hydrogen/oxygen evolution reactions in base. Inspiringly, this electrocatalyst can substantially ameliorate overall freshwater/seawater splitting at 1000mA cm-2 with low cell voltages of 1.65/1.69V, along with superb long-term stability at 500-1500mA cm-2 for over 200 h, outperforming nearly all the ever-reported non-noble electrocatalysts for freshwater/seawater electrolysis. This work offers a viable approach to design high-performance bifunctional catalysts for seawater splitting.

Synthesis of palladium-rare earth alloy as a high-performance bifunctional catalyst for direct ethanol fuel cells

Synthesis of palladium-rare earth alloy as a high-performance bifunctional catalyst for direct ethanol fuel cells

Constructing a Self-Supported Bifunctional Multiphase Heterostructure for Electrocatalytic Overall Water Splitting.

Developing well-performing and stable bifunctional electrocatalysts is of great importance for efficient green hydrogen production through water electrolysis. Herein, a three-dimensional self-supported CoMoS3.13/FeS2/Co3S4 on carbon paper (FeCoMoS/CP) heterostructure with interconnected nanosheets for overall water splitting was fabricated by a facile hydrothermal method followed by vulcanization treatment. The FeCoMoS/CP heterostructure with high structural integrity and more accessible active sites can effectively optimize the electronic structure through component regulation to achieve enhanced catalytic activity. Significantly, the FeCoMoS/CP required overpotentials of 257 mV at 50 mA cm-2 for OER and 280 mV at 20 mA cm-2 for HER. Importantly, the assembled FeCoMoS/CP||FeCoMoS/CP alkaline electrolyzer achieved a superior cell voltage of 1.48 V at 10 mA cm-2 with superb long-term stability, which implies a remarkable electrocatalytic performance of the FeCoMoS/CP heterostructure for overall water splitting. This work provides an applicable route for synthesizing high-performance bifunctional catalysts toward water electrolysis.

Synergistic Mo and W single atoms co-doped surface hydroxylated NiFe oxide as bifunctional electrocatalysts for overall water splitting

Two novel defect engineering strategies, surface hydroxylation and single atom (SA) doping, are explored to fabricate a high performance bifunctional water electrolysis catalyst, synergistic Mo and W SAs co-doped surface hydroxylated NiFe oxide (FN-MoWact). The product catalyst achieves ultralow overpotentials of 196 and 246 mV for oxygen evolution reaction (OER) and decent overpotentials of 79 and 246 mV for hydrogen evolution reaction (HER) at current densities of 10 and 500 mA cm−2, respectively. For overall water splitting, the FN-MoWact//FN-MoWact couple requires ultralow cell voltages of 1.504 and 1.729 V to deliver current densities of 10 and 500 mA cm−2, respectively, and remains stable after a 100-hour operation at an initial current density of 534 mA cm−2. The enhanced electrocatalytic activities are attributed to surface hydroxylation and doping of synergistic Mo and W SAs. The two defect engineering modifications, as supported by analyses of density functional theory calculations and in-situ X-ray absorption spectroscopy, lead to a proper reduction in metal-oxygen covalency, thus minimizing the energy difference of the rate-determining step of the OER process, and create surface active sites with a d-band center located closer to the Fermi level, thus properly strengthening proton binding to enhance HER activities.

Robust High-performance Bifunctional Porous Cobalt MOF-Based Catalysts for Overall Water Splitting.

MOF-based materials, as bifunctional catalysts for electrocatalytic water splitting, play an important role in the application and development of clean fuel hydrogen energy. This study presents a series of novel 3D Co-based MOFs with layered networks, including [Co(4,4'-bipy)0.5(aip)(CH3OH)·H2O]n (Co-MOF 1), [Co2(1,3'-bit)(aip)2(CH3OH)·H2O]n (Co-MOF 2), [Co(4,4'-bipb)(aip)]n (Co-MOF 3), and [Co2(4,4'-bipe)(aip)2·1.5H2O]n (Co-MOF 4). Their single-crystal structures of Co-MOFs 1-4 are characterized and analyzed before being applied in alkaline solutions for water decomposition (OER and HER). The electrocatalytic tests indicate that Co-MOFs 1-4 exhibit a good performance. Notably, Co-MOF 4 exhibits great behavior which has low overpotentials of 94 and 188 mV (OER) as well as 185 and 352 mV (HER) at the currents of 10 and 100 mA cm-2, respectively. In comparison with Co-MOFs 1-3, Co-MOF 4 has the lowest Tafel slopes, highest ECSA, and smallest resistance. The immanent qualities, such as distinct interwoven long chain layered structure, unsaturated coordination modes, and synergistic catalytic qualities among Co ions, contribute to explaining the results. The fundamentals provide valuable information for the investigation of innovative MOF-based bifunctional electrocatalysts for overall water splitting.

Recycling the spent cobalt-based perovskites for the high-active oxygen catalysts in zinc-air batteries

Cobalt (Co) is widely used in energy storage and conversion devices, although its content on our planet is not adequate. Therefore, recycling Co from the spent Co-enriched materials is indispensable. Co-based perovskites, which contain abundant Co, are extensively utilized in solid oxide fuel cells, three-way catalysts, and oxygen-permeable membranes, and the recovery of Co from the spent Co-based perovskites is necessary to meet the long-term requirement of Co. In this work, a facile and universal thermal reduction method (750 °C and N2 atmosphere) is employed to convert the spent cobalt-based perovskites into high-performance bifunctional oxygen catalysts for zinc-air batteries (ZABs), achieving high-efficient Co recovery and re-utilization. At high temperatures, melamine and dopamine hydrochloride are transformed into carbon nanotubes, C3N4 and reducing gases (such as NH3 and H2). Simultaneously, the metal elements in the spent Co-based perovskites (SrNb0.1Co0.7Fe0.2O3,SNCF) are converted into nano-scale alloy particles and metal nitrides. Then, the phase structures, micromorphology, and element valences of the obtained multiphase oxygen catalyst (SNCF–Ni-PM) are characterized by X-ray diffraction, scanning/transmission electron microscopy, and X-ray photoelectron spectroscopy, respectively. The electrochemical properties, including oxygen catalytic activities and stability, of SNCF-Ni-PM are measured by linear sweep voltammetry, chronopotentiometry, chronoamperometry, and cyclic voltammetry methods. Considering the practical applications, the aqueous and solid-state ZABs are assembled and measured. The results demonstrate that the multiphase SNCF-Ni-PM mainly includes carbon nanotubes, C3N4 nanosheets, and FeNiN or CoFe nanoparticles. Moreover, SNCF-Ni-PM exhibits excellent bifunctional oxygen catalytic activity, with an oxygen evolution reaction (OER) potential at 10 mA cm−2 of 1.51 V and an oxygen reduction reaction (ORR) half-wave potential of 0.77 V, outperforming most of the reported oxygen catalysts. Using SNCF-Ni-PM, the aqueous and solid-state ZABs can achieve high power densities of 295.9 and 228.4 mW cm−2, respectively, being superior to most ZABs. In addition, the aqueous ZAB with SNCF-Ni-PM can operate stably for 300 h with a slight degradation. This work provides a feasible method for effectively recycling Co from the spent Co-based perovskites.

Oxygen Vacancy-Enhanced Ni3N-CeO2/NF Nanoparticle Catalysts for Efficient and Stable Electrolytic Water Splitting.

Highly efficient and cost-effective electrocatalysts are of critical significance in the domain of water electrolysis. In this study, a Ni3N-CeO2/NF heterostructure is synthesized through a facile hydrothermal technique followed by a subsequent nitridation process. This catalyst is endowed with an abundance of oxygen vacancies, thereby conferring a richer array of active sites. Therefore, the catalyst demonstrates a markedly low overpotential of 350 mV for the Oxygen Evolution Reaction (OER) at 50 mA cm-2 and a low overpotential of 42 mV for the Hydrogen Evolution Reaction (HER) at 10 mA cm-2. Serving as a dual-function electrode, this electrocatalyst is employed in overall water splitting in alkaline environments, demonstrating impressive efficiency at a cell voltage of 1.52 V of 10 mA cm-2. The in situ Raman spectroscopic analysis demonstrates that cerium dioxide (CeO2) facilitates the rapid reconfiguration of oxygen vacancy-enriched nickel oxyhydroxide (NiOOH), thereby enhancing the OER performance. This investigation elucidates the catalytic role of CeO2 in augmenting the OER efficiency of nickel nitride (Ni3N) for water electrolysis, offering valuable insights for the design of high-performance bifunctional catalysts tailored for water splitting applications.

Iron, Tungsten Dual-Doped Nickel Sulfide as Efficient Bifunctional Catalyst for Overall Water Splitting.

Developing low-cost and highly efficient bifunctional catalysts for both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) is a challenging problem in electrochemical overall water splitting. Here, iron, tungsten dual-doped nickel sulfide catalyst (Fe/W-Ni3S2) is synthesized on the nickel foam, and it exhibits excellent OER and HER performance. As a result, the water electrolyze based on Fe/W-Ni3S2 bifunctional catalyst illustrates 10mAcm-2 at 1.69V (without iR-compensation) and highly durable overall water splitting over 100h tested under 500mAcm-2. Experimental results and DFT calculations indicate that the synergistic interaction between Fe doping and Ni vacancy induced by W leaching during the in situ oxidation process can maximize exposed OER active sites on the reconstructed NiOOH species for accelerating OER kinetics, while the Fe/W dual-doping optimizes the electronic structure of Fe/W-Ni3S2 and the binding strength of intermediates for boosting HER. This study unlocks the different promoting mechanisms of incorporating Fe and W for boosting the OER and HER activity of Ni3S2 for water splitting, which provides significant guidance for designing high-performance bifunctional catalysts for overall water splitting.

Heterostructure catalyst coupled wood-derived carbon and cobalt-iron alloy/oxide for reversible oxygen conversion

As promising energy-storage devices, zinc–air batteries (ZABs) exhibit slow reaction kinetics for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) occurring at their electrodes. High-performance bifunctional catalysts must thus be synthesized to accelerate the reversible conversion of oxygen and improve the rate and overall performance of ZABs. Herein, we reported the promising prospects of self-supported composite electrodes composed of wood-derived carbon (WDC) and bimetallic cobalt-iron alloys/oxides (CoFe-CoFe2O4@WDC) as efficient electrocatalysts for alkaline ORR/OER. WDC provided a favorable three-phase interface for heterogeneous reactions owing to its layered porous structure and genetic stability, thereby enabling mass diffusion and improving reaction kinetics. The CoFe2O4 spinel surface was reduced to bimetallic CoFe alloy to form abundant heterostructure interfaces that promote electron transfer. Under alkaline conditions, the optimized composite electrode exhibited a remarkable high half-wave potential of 0.85 V and an exceptionally low overpotential of 1.49 V. It also exhibited stable performance over an impressive 2340 cycles in a ZAB. Theoretical calculations also confirmed that the heterointerface addresses the issue of proton scarcity throughout the reaction and actively facilitates the creation of O–O bonds during the reversible transformation of oxygen. This study introduces a new concept for developing bifunctional and efficient electrocatalysts based on charcoal and encourages the sustainable and high-value use of forest biomass resources.Graphical

Superhydrophobic Co/Fe sulfide nanoparticles and single-atoms doped carbon nanosheets composite air cathode for high-performance zinc-air batteries

Development of a high-performance bifunctional catalyst is essential for the actual implementation of zinc-air batteries in practical applications. Herein, a bifunctional cathode of Co3S4/FeS heterogeneous nanoparticles embedded in Co/Fe single-atom-loaded nitrogen-doped carbon nanosheets is designed. Cobalt-iron sulfides and single atomic sites with Co-N4/Fe-N4 configurations are confirmed to coexist on the carbon matrix by EXAFS spectroscopy. 3D self-supported super-hydrophobic multiphase composite cathode provides abundant active sites and facilitates gas–liquid-solid three-phase interface reactions, resulting in excellent electrocatalytic activity and batteries performance, i.e., an OER overpotential (η10) of 260 mV, a half-wave potential (E1/2) of 0.872 V for ORR, a ΔE of 0.618 V, and a discharge power density of 170 mW cm−2, a specific capacity of 816.3 mAh g−1. DFT analysis shows multiphase coupling of sulfide heterojunction through single-atomic metal doped carbon nanosheets reduces offset on center of electronic density of states before and after oxygen adsorption, and spin density of adsorbed oxygen with same spin orientation, leading to weakened charge/spin interactions between adsorbed oxygen and substrate, and a lowered oxygen adsorption energy to accelerate OER/ORR.

An ultrathin flocculent Co9S8/Ni3S2 hybrid as high-performance bifunctional catalyst for overall water splitting

Modern industrial hydrogen production is a crucial solution to address the energy crisis. Therefore, the development of a cost-effective and highly efficient hydrolytic hydrogen production catalyst holds significant practical importance. In this study, we propose to synthesize an efficient bifunctional electrocatalyst of Co9S8/Ni3S2 grown on nickel foam (NF) by a one-step hydrothermal method, which has a large specific surface area due to its flocculated structure. Through electrochemical testing, the Co9S8/Ni3S2/NF electrode exhibits remarkable performance in both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Specifically, low overpotentials of 53.6, 90.2, and 209.2 mV are required to achieve current densities of 10, 20, and 100 mA/cm2 during HER, respectively. Similarly, for OER, the overpotentials are only 107.6, 150.6, and 350.4 mV. Additionally, the Co9S8/Ni3S2/NF electrode demonstrates a small Tafel slope of 68.7 mV/dec for HER and 91.8 mV/dec for OER, indicating efficient reaction kinetics. Notably, the electrode exhibits exceptional long-term stability. Moreover, in a self-assembled monolithic water splitting device with Co9S8/Ni3S2/NF electrodes as cathode and anode, a cell potential of 1.55 V is required to drive the overall water splitting process at a current density of 10 mA/cm2, and the reaction shows excellent stability with a loss of voltage of only 16.5 mV over a 10-hour period. This paper presents a simple and innovative approach for constructing bimetallic sulfides electrocatalysts.

Advancing Extreme-Temperature-Tolerant Zinc-Air Batteries through Photothermal Transition Metal Sulfide Heterostructures

The potential to produce cost-effective, high-performance bifunctional oxygen catalysts holds significant promise for the commercialization of zinc-air batteries (ZABs). In this study, photothermal electrocatalysts consisting of NiCo2S4@NiFe layered double hydroxides...

Bifunctional PdMoPt trimetallene boosts alcohol-water electrolysis.

Substituting oxygen evolution with alcohol oxidation is crucial for enhancing the cathodic hydrogen evolution reaction (HER) at low voltages. However, the development of high-performance bifunctional catalysts remains a challenge. In this study, an ultrathin and porous PdMoPt trimetallene is developed using a wet-chemical strategy. The synergetic effect between alloying metals regulates the adsorption energy of reaction intermediates, resulting in exceptional activity and stability for the electrooxidation of various alcohols. Specifically, the mass activity of PdMoPt trimetallene toward the electrooxidation of methanol, ethylene glycol, and glycerol reaches 6.13, 5.5, and 4.37 A mgPd+Pt -1, respectively. Moreover, the catalyst demonstrates outstanding HER activity, requiring only a 39 mV overpotential to achieve 10 mA cm-2. By employing PdMoPt trimetallene as both the anode and cathode catalyst, we established an alcohol-water hybrid electrolysis system, significantly reducing the voltage requirements for hydrogen production. This work presents a promising avenue for the development of bifunctional catalysts for energy-efficient hydrogen production.

In-situ construction defect-rich CuNiCoS4 /1T-MoS2 heterostructures as superior electrocatalysts for water splitting

Rational design and construction of bifunctional heterostructure electrocatalysts with high-conductivity and more active sites is imperative for water splitting. Herein, based on the tunable property of layered double hydroxide laminates cations, topological transformation technology and template confine method, a series of high-performance bifunctional catalysts composed of transition metal doping NiCo2S4 (MNiCoS4, M = Cu, Fe, Zn, Mn) and 1T-MoS2 were in-situ fabricated on nickel foam. In particular, CuNiCoS4/1T-MoS2 exhibits an ultralow overpotential of 163 mV at 50 mA cm−2 for oxygen evolution reaction (OER) and favorable hydrogen evolution reaction activity. The two-electrode system requires only 1.52 V to attain a current density of 10 mA cm−2. To the best of our knowledge, its OER electrocatalytic activity far exceed state-of-art catalysts reported. The outstanding performance of this series of catalysts can be attributed to two aspects. First, the highly conductive 1T-MoS2 can facilitate electron transfer, and second, the defect-rich heterostructure can effectively regulate the electronic structure of the active metal and expose abundant active sites. This work provides a valuable strategy for developing high activity electrocatalysts for efficient water splitting.

Surface modulation of transition-metal-doped MoS2@graphite felt for bifunctional catalysis in Zn-air batteries

Surface modulation is essential to bifunctional catalysis especially for energy devices. Herein, transition-metal-doped MoS2 is shown to have modulated interfacial states to facilitate bifunctional catalysis of the oxygen reduction and evolution reactions (ORR/OER) in Zn-air batteries. The uniform distribution, vertically aligned layer, and stable Fe doped MoS2 semiconducting nanoparticles produce promising bifunctional catalysis in the fabricated Zn-air batteries. Electrochemical assessment reveals that the surface electronic states and adsorption/desorption effects are crucial to the properties and stability of the bifunctional electrode in ORR/OER. The new findings divulge an effective strategy to modulate surface/interface states to produce high-performance bifunctional catalysts for the oxygen reduction/evolution reactions.

The performance improvement method of g-C3N4 based catalyst for hydrogen production from ammonia borane: A DFT investigation

In the study, based on the purpose of efficient catalytic AB for hydrogen production, the photochemical properties influence of metal(Ru, Ni) and nonmetal(B,P) elements doping on the g-C3N4 are studied systematacially. The design method of high performance bifunctional catalyst of photocatalysis and metal catalysis are provided. The results have proved that both non-metals B, P and metal Ru, Ni have an efficient regulatory effect on the band structure of g-C3N4, which make the band gap of the clean monolayer g-C3N4(001) decrease from 1.175 eV to 0.261eV(B-g-C3N4(001)) and 0.671eV(P-g-C3N4(001)), 0.164 eV(Ni-g-C3N4(001)) and 0.260 eV(Ru-g-C3N4(001)), respectively. B element have the better modification effect compared with the P element. The reduction of band gap is attributed to the electronic orbit modification effect of impurity element B, P, Ni, Ru in g-C3N4. Ru metal doped g-C3N4 is reduces the barrier of OH bond breakage of CH3OH(reduced from 4.551 eV to 1.530 eV), which is beneficial to the hydrogen-producing reaction of AB alcoholysis. The construction and design of a new bifunctional catalyst(photocatalysis and metal catalysis) RuNiB@g-C3N4 is an efficient route in catalyze AB for hydrogen production. The process of molecule NH3BH3, CH3OH and H2O adsorbed on the B-g-C3N4 are exothermic process, the adsorption energy are -1.562 eV, -1.392 eV and -1.443 eV, respectively. AB is preferentially adsorbed on the B-g-C3N4 catalyst, increasing the adsorption energy of CH3OH and H2O on B-g-C3N4-based catalysts is beneficial to the hydrogen production from AB. The study provides a theoretical method for the research on the technology of the coupling of metal catalysis/photocatalysis ammonia borane to produce hydrogen.