Hydrolysis Of Ammonia Borane Research Articles

Controllable preparation of Co-based catalysts doped with Cu and Mo for boosting hydrogen evolution

Hydrogen evolution from ammonia borane hydrolysis is a promising way for utilization of clean energy. Development of efficient and stable non-noble catalysts for improvement of hydrogen generation rate is essential but still a challenge. Herein, the heterostructured Co-based catalysts were controllably designed by combining the synergistic effect with oxygen vacancy engineering to improve the hydrogen generation rate. CoCu1Mo3-NC-O-15 exhibits the TOF value of 24.44 min−1 at 298 K with addition of 0.44 M NaOH, which is nearly 68 times that of Co-NC. The activation energy over CoCu1Mo3-NC-O-15 is 28.44 kJ mol−1. The CoCu1Mo3-NC-O-15 catalyst presents the good stability in ammonia borane hydrolysis reaction due to the carbon-coated structure. The strong synergistic effect and oxygen vacancy are favorable to the adsorption and dissociation of NH3BH3 and H2O molecules, leading to an astonishing improvement of catalytic activity. This study provides a novel way to design the heterostructured catalysts and a rational way to boost the dehydrogenation rate from AB.

Efficient Hydrogen Generation from Ammonia Borane Hydrolysis on a Tandem Ruthenium–Platinum–Titanium Catalyst

AbstractHydrolysis of ammonia borane (NH3BH3, AB) involves multiple undefined steps and complex adsorption and activation, so single or dual sites are not enough to rapidly achieve the multi‐step catalytic processes. Designing multi‐site catalysts is necessary to enhance the catalytic performance of AB hydrolysis reactions but revealing the matching reaction mechanisms of AB hydrolysis is a great challenge. In this work, we propose to construct RuPt−Ti multi‐site catalysts to clarify the multi‐site tandem activation mechanism of AB hydrolysis. Experimental and theoretical studies reveal that the multi‐site tandem mode can respectively promote the activation of NH3BH3 and H2O molecules on the Ru and Pt sites as well as facilitate the fast transfer of *H and the desorption of H2 on Ti sites at the same time. RuPt−Ti multi‐site catalysts exhibit the highest turnover frequency (TOF) of 1293 min−1 for AB hydrolysis reaction, outperforming the single‐site Ru, dual‐site RuPt and Ru−Ti catalysts. This study proposes a multi‐site tandem concept for accelerating the dehydrogenation of hydrogen storage material, aiming to contribute to the development of cleaner, low‐carbon, and high‐performance hydrogen production systems.

Efficient Hydrogen Generation from Ammonia Borane Hydrolysis on a Tandem Ruthenium-Platinum-Titanium Catalyst.

Hydrolysis of ammonia borane (NH3BH3, AB) involves multiple undefined steps and complex adsorption and activation, so single or dual sites are not enough to rapidly achieve the multi-step catalytic processes. Designing multi-site catalysts is necessary to enhance the catalytic performance of AB hydrolysis reactions but revealing the matching reaction mechanisms of AB hydrolysis is a great challenge. In this work, we propose to construct RuPt-Ti multi-site catalysts to clarify the multi-site tandem activation mechanism of AB hydrolysis. Experimental and theoretical studies reveal that the multi-site tandem mode can respectively promote the activation of NH3BH3 and H2O molecules on the Ru and Pt sites as well as facilitate the fast transfer of *H and the desorption of H2 on Ti sites at the same time. RuPt-Ti multi-site catalysts exhibit the highest turnover frequency (TOF) of 1293 min-1 for AB hydrolysis reaction, outperforming the single-site Ru, dual-site RuPt and Ru-Ti catalysts. This study proposes a multi-site tandem concept for accelerating the dehydrogenation of hydrogen storage material, aiming to contribute to the development of cleaner, low-carbon, and high-performance hydrogen production systems.

Ru0.7Cu0.3/W18O49 Schottky junction for visible-light-driven hydrogen generation from ammonia borane hydrolysis

Photocatalytic hydrogen (H2) production from ammonia borane (AB) hydrolysis is a promising pathway for generating clean energy. Constructing appropriate heterojunctions represents an efficient strategy for enhancing the catalytic activity. Herein, a Ru0.7Cu0.3/W18O49 Schottky junction is successfully designed, which greatly enhances transfer and separation of photogenerated charge carriers. Moreover, the metallic Ru0.7Cu0.3 exhibits localized surface plasmon resonance (LSPR), which greatly enhances the light harvesting capability. As expected, the optimized Ru0.7Cu0.3/W18O49 photocatalyst exhibits a superior visible-light-driven H2 generation yield of 880 mL min−1 g−1 with excellent stability. The turnover frequency (TOF) value of Ru0.7Cu0.3/W18O49 was found to be 1.44 times higher under visible light irradiation compared to the dark condition, achieving 133.1 min−1. The present study establishes a pioneering approach for the systematic design of highly efficient and durable heterostructure catalysts.

In-situ synthesis of porous silica-ruthenium composite catalyst for hydrolysis of ammonia borane

In-situ synthesis of porous silica-ruthenium composite catalyst for hydrolysis of ammonia borane

Tailoring the interfacial electron redistribution of ball-in-ball structured CuO-Co3O4 nanocomposites for synergistic enhancement in hydrolytic dehydrogenation of ammonia borane

Construction of high-efficiency and affordable catalysts for hydrogen production from hydrolysis of ammonia borane is highly desirable, but significant challenges still exist. In this study, a series of ball-in-ball hollow structured CuO-Co3O4 nanocomposites with varied Cu/Co molar ratio were constructed via simple solvothermal method combined with a post-calcination. The CuO-Co3O4 composite featuring a Cu/Co molar ratio of 1: 2 displayed the highest catalytic efficiency, achieving a turnover frequency (TOF) value of 25.0 molH2 molcat.−1 min−1 for AB hydrolysis. An evident synergistic enhancement in catalytic activity was confirmed between CuO and Co3O4. Experimental and theoretical researches uncovered that the enhancement of activity is originated from the electron transfer between Cu and Co ingredients, which is beneficial for the adsorption and activation of H2O and ammonia borane. In addition, the DFT calculations results revealed that the actual active sites for AB hydrolysis in CuO-Co3O4 composite catalyst is the Co site. These findings should provide some insightful recommendations for designing robust and cost-effective composite catalysts for the hydrolytic dehydrogenation of ammonia borane.

Bottom-Up Synthesis of Platinum Dual-Atom Catalysts on Cerium Oxide.

We present here the synthesis and performance of dual-atom catalysts (DACs), analogous to well-known single-atom catalysts (SACs). DACs feature sites containing pairs of metal atoms and can outperform SACs due to their additional binding possibilities. Yet quantifying the improved catalytic activity in terms of proximity effects remains difficult, as it requires both high-resolution kinetic data and an understanding of the reaction pathways. Here, we use an automated bubble counter setup for comparing the catalytic performance of ceria-supported platinum SACs and DACs in ammonia borane hydrolysis. The catalysts were synthesized by wet impregnation and characterized using SEM, HAADF-STEM, XRD, XPS, and CO-DRIFTS. High-precision kinetic studies of ammonia borane hydrolysis in the presence of SACs show two temperature-dependent regions, with a transition point at 43 °C. Conversely, the DACs show only one regime. We show that this is because DACs preorganize both ammonia borane and water at the dual-atom active site. The additional proximal Pt atom improves the reaction rate 3-fold and enables faster reactions at lower temperatures. We suggest that the DACs enable the activation of the water-O-H bond as well as increase the hydrogen spillover effect due to the adjacent Pt site. Interestingly, using ammonia borane hydrolysis as a benchmark reaction gives further insight into hydrogen spillover mechanisms, above what is known from the CO oxidation studies.

Oxide coated nickel powder as support for platinum(0) nanoparticles: Magnetically separable catalysts for hydrogen generation from the hydrolysis of ammonia borane

We report the development of a novel method for the preparation of magnetically separable platinum nanoparticles. Magnetic nickel nanopowder is initially synthesized in a radiofrequency plasma reactor where in-line passivation was carried out with oxygen gas, resulting in the formation of nickel oxidecoated nickel particles. Following this, platinum nanoparticles are deposited onto the surface of the oxidecoated nickel nanopowder, forming Pt0/Ni@NiO nanocatalysts for the hydrolytic dehydrogenation of ammonia borane. The Pt0/Ni@NiO nanoparticles, containing 0.24 % wt. Pt, exhibit remarkable catalytic activity in the hydrolytic dehydrogenation of ammonia borane, with a turnover frequency of 468 (mol H2)×(mol Pt)−1×min−1 for releasing 3 equivalent H2 gas per mole of ammonia borane from its hydrolysis at 25 ºC. This heightened catalytic activity of Pt0/Ni@NiO nanoparticles is attributed to the favorable metal-support interaction between the platinum(0) nanoparticles and oxide surface, namely the bonding of platinum to the oxide surface, as elucidated by the XPS analysis. More importantly, Pt0/Ni@NiO nanoparticles can be separated from the reaction solution by using an external magnet.

Boron/nitrogen-trapping and regulative electronic states around Ru nanoparticles towards bifunctional hydrogen production

Developing a straightforward and general strategy to regulate the surface microenvironment of a carbon matrix enriched with N/B motifs for efficient atomic utilization and electronic state of metal sites in bifunctional hydrogen production via ammonia-borane hydrolysis (ABH) and water electrolysis is a persistent challenge. Herein, we present a simple, green, and universal approach to fabricate B/N co-doped porous carbons using ammonia-borane (AB) as a triple functional agent, eliminating the need for hazardous and explosive functional agents and complicated procedures. The pyrolysis of AB induces the regulation of the surface microenvironment of the carbon matrix, leading to the formation of abundant surface functional groups, defects, and pore structures. This regulation enhances the efficiency of atom utilization and the electronic state of the active component, resulting in improved bifunctional hydrogen evolution. Among the catalysts, B/N co-doped vulcan carbon (Ru/BNC) with 2.1 wt% Ru loading demonstrates the highest performance in catalytic hydrogen production from ABH, achieving an ultrahigh turnover frequency of 1854 min−1 (depending on the dispersion of Ru). Furthermore, this catalyst shows remarkable electrochemical activity for hydrogen evolution in alkaline water electrolysis with a low overpotential of 31 mV at 10 mA cm−2. The present study provides a simple, green, and universal method to regulate the surface microenvironment of various carbons with B/N modulators, thereby adjusting the atomic utilization and electronic state of active metals for enhanced bifunctional hydrogen evolution.

Modified Janus silica-based sheets stable stimulus-responsive Pickering emulsion: An excellent recycling platform for tandem reaction

To accommodate the advancement of green chemistry and further enhance hydrogen utilization efficiency and organic compound conversion in reactions, a smart Pickering emulsion stabilized by modified Janus silica particles was successfully prepared for the tandem reaction of ammonia borane hydrolysis and organic hydrogenation reduction. The emulsion has been confirmed to possess high stability and rapid stimulus responsiveness. The high stability and large oil-water interface area of Pickering emulsions, along with their low energy demulsification method, provide an excellent reaction platform and catalyst in situ recovery strategy for tandem reactions. Moreover, the anisotropy of Janus particles facilitates the progression of tandem reactions, mitigating the waste associated with "sacrifice" mechanisms and averting hydrogen loss. Experimental results demonstrate that even when the molar amount of hydrogen released from ammonia borane is comparable to that of organic compounds, organic compounds still achieve a conversion rate of 99 %, with a hydrogen utilization efficiency 3–4 times higher than that of conventional two-phase systems. By simply adjusting the pH, the catalyst can be recovered in situ for the next cycle. Even after 5 cycles, a high conversion rate of organic compounds is maintained.

Efficient Hydrogen Evolution from Dimethylamine Borane, Ammonia Borane and Sodium Borohydride Catalyzed by Ruthenium and Platinum Nanoparticles Stabilized by an Amine Modified Polymer Immobilized Ionic Liquid: a Comparative Study

Platinum and ruthenium nanoparticles stabilised by an amine modified polymer immobilised ionic liquid (MNP@NH2-PEGPIILS, M = Pt, Ru) catalyse the hydrolytic liberation of hydrogen from dimethylamine borane (DMAB), ammonia borane (AB) and NaBH4 under mild conditions. While RuNP@NH2-PEGPIILS and PtNP@NH2-PEGPIILS catalyse the hydrolytic evolution of hydrogen from NaBH4 with comparable initial TOFs of 6,250 molesH2.molcat−1.h−1 and 5,900 molesH2.molcat−1.h−1, respectively, based on the total metal content, RuNP@NH2-PEGPIILS is a markedly more efficient catalyst for the dehydrogenation of DMAB and AB than its platinum counterpart, as RuNP@NH2-PEGPIILS gave initial TOFs of 8,300 molesH2.molcat−1.h−1 and 21,200 molesH2.molcat−1.h−1, respectively, compared with 3,050 molesH2.molcat−1.h−1 and 8,500 molesH2.molcat−1.h−1, respectively, for PtNP@NH2-PEGPIILS. Gratifyingly, for each substrate tested RuNP@NH2-PEGPIILS and PtNP@NH2-PEGPIILS were markedly more active than commercial 5wt % Ru/C and 5wt% Pt/C, respectively. The apparent activation energies of 55.7 kJ mol−1 and 27.9 kJ mol−1 for the catalytic hydrolysis of DMAB and AB, respectively, with RuNP@NH2-PEGPIILS are significantly lower than the respective activation energies of 74.6 kJ mol−1 and 35.7 kJ mol−1 for its platinum counterpart, commensurate with the markedly higher initial rates obtained with the RuNPs. In comparison, the apparent activation energies of 44.1 kJ mol−1 and 46.5 kJ mol−1, for the hydrolysis NaBH4 reflect the similar initial TOFs obtained for both catalysts. The difference in apparent activation energies for the hydrolysis of DMAB compared with AB also reflect the higher rates of hydrolysis for the latter. Stability and reuse studies revealed that RuNP@NH2-PEGPIILS recycled efficiently as high conversions for the hydrolysis of DMAB were maintained across five runs with the catalyst retaining 97% of its activity.Graphical

Coupling geometric and electronic engineering over RuNi ultrafine alloys for fast boosting hydrolytic dehydrogenation of NH3BH3

Developing a suitable catalyst for ammonia borane (AB, NH3BH3) hydrolysis and clarifying the catalytic mechanism are essential and challenging at present. In this work, RuNi nanoalloys are supported on an N/O co-coped glucose-derived carbon (g-C) with the adsorption-NaBH4 reduction method. Attributed to the particular geometric and anchoring effects, as well as the improved hydrophilicity of the multi-level porous support, the RuNi alloys are highly and firmly confined in the framework of g-C. Specifically, the optimal Ru0.25Ni0.75@g-C with an average alloy particle size of 1.4 nm exhibits pleasurable specific hydrogen evolution rate (437,990 mL min−1 gRu−1) and turnover frequency (1612.37 min−1) in NaOH aqueous solution (1.5 M) at 303 K, superior to the corresponding monometallic counterparts (i.e., Ni@g-C and Ru@g-C) and many previous results. In addition, apart from satisfactory durability, the optimal alloy catalyst delivers an encouraging apparent activation energy (28.1 kJ mol−1). Our work not only explains the geometric and electronic effects on the catalytic performance but also offers a promising catalyst for hydrogen release from liquid-phase AB.

Cobalt Phosphide-Supported Single-Atom Pt Catalysts for Efficient and Stable Hydrogen Generation from Ammonia Borane Hydrolysis.

Ammonia borane (AB) has emerged as a promising chemical hydrogen storage material. The development of efficient, stable, and cost-effective catalysts for AB hydrolysis is the key to achieving hydrogen energy economy. Here, cobalt phosphide (CoP) is used to anchor single-atom Pt species, acting as robust catalysts for hydrogen generation from AB hydrolysis. Thanks to the high Pt utilization and the synergy between CoP and Pt species, the optimized Pt/CoP-100 catalyst exhibits an unprecedented hydrogen generation rate, giving a record turnover frequency (TOF) value of 39911 and turnover number of 2926829 at room temperature. These metrics surpass those of all existing state-of-the-art supported metal catalysts by an order of magnitude. Density functional theory calculations reveal that the integration of single-atom Pt onto the CoP substrate significantly enhances adsorption and dissociation processes for both water and AB molecules, thereby facilitating hydrogen production from AB hydrolysis. Interestingly, the TOF value is further elevated to 54878 under UV-vis light irradiation, which can be attributed to the efficient separation and mobility of photogenerated carriers at the Pt-CoP interface. The findings underscore the effectiveness of CoP as a support for single-atom metals in hydrogen production, offering insights for designing high-performance catalysts for chemical hydrogen storage.

Novel nanoporous amorphous/nanocrystalline composite structured RuNiFeCo multicomponent alloys with exceptional catalytic activity for ammonia borane hydrolytic dehydrogenation

The pursuit of high-efficient and cost-effective catalysts for hydrogen generation is imperative to address the energy crisis. Herein, nanoporous RuNiFeCo alloys (np-RuNiFeCo) with high catalytic activity for ammonia borane (AB) hydrolytic dehydrogenation have been prepared by dealloying Fe25NixCo40-xRu5B30 (x = 0–40) high-entropy amorphous alloys with low Ru content. The np-RuNiFeCo are composed of an amorphous/hexagonal close-packed Ru nanocrystalline dual-phase structure and exhibit a uniform nanopore/ligament bicontinuous architecture. The morphology, composition, and AB hydrolysis catalytic properties of the np-RuNiFeCo can be regulated by varying the Ni/Co content in the precursors, and the best catalytic activity with a high turnover frequency value of 148.2 molH2molRu‐1min‐1 and a low apparent activation energy of 25.3 kJmol‐1 was obtained when x = 30. Density functional theory simulations indicate that the presence of Ni, synergizing with Fe and Co, promotes electron transfer to Ru and enhances the adsorption energies of both AB and H2O molecules while reducing the activation barrier for cleaving the H2O molecule, leading to enhanced intrinsic catalytic activity of the alloy. The exceptional catalytic performance of the np-RuNiFeCo arises from the synergy of multiple principal elements, nanoporous morphology, and amorphous/nanocrystalline heterogeneous interface. In addition, the mechanisms of dealloying and nanoporous structure formation have been discussed based on surface diffusion.

Amine-rich cyclotriphosphazene (P3N3) nano-cages for enhanced and selective Au(III) and Pd(II) recovery and hydrogen generation: Waste-to-resource tactics

Designing a new material for precious metals (PMs) recovery is of ultimate significance in the quest to explore highly efficient, selective, and stable adsorbents for a sustainable economy and green environment. Herein, novel amine-rich cyclotriphosphazene poly(tetrakis(4-aminophenyl)methane-co-cylotriphosphazene)- porous nano-cages (PTC-PNC) and microspheres (PTC-MS) were synthesized for adsorption and selective recovery of Au(III) and Pd(II) in aqueous solution. A combination of the abundant amine groups and the cage-like porous morphology of PTC-PNC makes it an ideal absorbent for recovery of the Au(III) (1592 mg g−1, pH 1.0, 60 oC) and Pd(II) (1372 mg g−1, pH 1.0, 60 oC) with high selectivity which was slightly decreased up to 8-11% even in the presence of 13 co-existing metals ions while an ultra-high recovery of 99% was obtained. The unique cage-like morphology of the PTC-PNC guarantees a fast adsorption equilibrium while the adsorption isotherm specifies a pseudo-second-order kinetic behavior and Langmuir isotherm. Amine groups were the most energetically favorable sites for the capturing and chelating of Au(III) and Pd(II) ions followed by their partial reduction to Au0 and Pd0. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and high-resolution transmission electron spectroscopy (HRTEM) analysis were employed to explore interactions and reduction mechanisms during the adsorption process. Adopting the waste-to-resource approach, after Au(III) and Pd(II) recovery, these adsorbents were applied for catalytic hydrogen generation from ammonia borane (AB) hydrolysis. Due to its favorable electronic structure, the PTC-PNC@Pd exhibited a higher hydrogen generation than PTC-PNC@Au. The as-synthesized PTC-PNC could be employed as a promising material for other MPs' selective recovery and green energy generation applications.

Silica Confinement for Stable and Magnetic Co-Cu Alloy Nanoparticles in Nitrogen-Doped Carbon for Enhanced Hydrogen Evolution.

Ammonia borane (AB) with 19.6 wt % H2 content is widely considered a safe and efficient medium for H2 storage and release. Co-based nanocatalysts present strong contenders for replacing precious metal-based catalysts in AB hydrolysis due to their high activity and cost-effectiveness. However, precisely adjusting the active centers and surface properties of Co-based nanomaterials to enhance their activity, as well as suppressing the migration and loss of metal atoms to improve their stability, presents many challenges. In this study, mesoporous-silica-confined bimetallic Co-Cu nanoparticles embedded in nitrogen-doped carbon (CoxCu1-x@NC@mSiO2) were synthesized using a facile mSiO2-confined thermal pyrolysis strategy. The obtained product, an optimized Co0.8Cu0.2@NC@mSiO2 catalyst, exhibits enhanced performance with a turnover frequency of 240.9 molH2 ⋅ molmetal ⋅ min-1 for AB hydrolysis at 298 K, surpassing most noble-metal-free catalysts. Moreover, Co0.8Cu0.2@NC@mSiO2 demonstrates magnetic recyclability and extraordinary stability, with a negligible decline of only 0.8 % over 30 cycles of use. This enhanced performance was attributed to the synergistic effect between Co and Cu, as well as silica confinement. This work proposes a promising method for constructing noble-metal-free catalysts for AB hydrolysis.

Two-dimensional molybdenum boride coordinating with ruthenium nanoparticles to boost hydrogen generation from hydrolytic dehydrogenation of ammonia borane

The coordination between carrier and active metal is critical to the catalytic efficiency of ammonia borane (AB) hydrolysis reaction. In the present study, we report a new type of catalytic support based on molybdenum boride (MBene) MoAl1-xB and demonstrate that the effective combination of MoAl1-xB with Ru nanoparticles can realize the significantly enhanced performance for hydrogen generation. Owing to the efficient activation and dissociation of reactants, the optimal Ru/MoAl1-xB catalyst achieves the large turnover frequency of 494 molH2 molRu-1 min−1, high hydrogen generation rate of 119817 mL min−1 gRu-1 and favorable apparent activation energy of 39.2 kJ mol−1 for the catalytic hydrolysis of AB under alkaline-free condition. The isotopic test suggests the cleavage of OH bond in H2O is the rate-determining step for hydrolysis reaction, while the fracture of B–H bond in AB is also well revealed by attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy. Significantly, the flexible on-demand hydrogen generation is achieved by using chemical switches for on–off AB hydrolysis. This study provides a new support platform based on two-dimensional MBene to exploit efficient catalysts to boost AB dehydrogenation.

Catalytic Hydrogen Generation through Ammonia Borane Hydrolysis Using Metal–Organic Framework via O–H Bond Activation

Catalytic Hydrogen Generation through Ammonia Borane Hydrolysis Using Metal–Organic Framework via O–H Bond Activation

V-doped activated Ru/Ti2.5V0.5C2 dual-active center accelerate hydrogen production from ammonia borane

Designing and constructing the active center of Ru-based catalysts is the key to efficient hydrolysis of ammonia borane (NH3BH3, AB) for hydrogen production. Herein, V-doped Ru/Ti2.5V0.5C2 dual-active center catalysts were synthesized, showing excellent catalytic ability for AB hydrolysis. The corresponding turnover frequency value was 1072 min−1 at 298 K, and the hydrolysis rate rB of AB was 235 × 103 mL·min−1·gRu–1. X-ray photoelectron spectroscopy results indicated that the interaction between V-doped Ti3C2 and catalytic metal Ru transfers electrons from Ti to Ru, resulting in electron-rich Ru species. According to density functional theory calculations, the activation energy and reaction dissociation energy of the reactants AB and H2O on V-doped catalysts were lower than those of Ru/Ti3C2, thus optimizing the catalytic kinetics of AB hydrolysis. The modification strategy of V-doped Ti3C2 provides a new pathway for the development of high-performance catalysts for AB hydrolysis.

Spin-cross interface-inducing ultra-high catalytic activity in Co(OH)xPy-MXene toward alkali-free liquid hydrogen generation

Proclaiming the interfacial active sites of non-noble metals on supported catalysts is a paramount topic. Herein, a spin-cross interface (Co(OH)xPy (x/y=3.2)) in the intimate region between Co(OH)2 and CoP is designed by in situ hydroxylation and P-inducing strategy. An ultra-high catalytic hydrogen generation activity with a turnover frequency of 1640 min−1 is achieved for hydrolysis of ammonia borane (NH3BH3). Both experimental observations and computational simulations reveal that the spin-cross interface dramatically reduces the energy barriers for the dissociation of reactant molecules (NH3BH3 and H2O) to expedite the catalytic activity. The coexistence of active interface and MXene create the ensembles of Co atoms coordinated by OH and P. The construction of active sites of Co(OH)xPy simultaneously boosts the adsorption and dissociation of H2O and NH3BH3 molecules. This research provides new paradigm for the rational design of spin-induced catalysts in the future energy system depending on the activation of multi-molecules.