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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Leaf-carbon-supported FeCo nanocatalysts enable 200 °C desorption and high reversibility in MgH2 hydrogen storage

Quanhui Hou,Jinhui Wang,Qianyang Wang,Yang Zhou,Zhao Ding

Magnesium hydride (MgH 2 ) is a promising candidate for solid-state hydrogen storage due to its high theoretical capacity, but its application is limited by high desorption temperatures and sluggish sorption kinetics. In this work, we developed leaf-carbon-supported FeCo bimetallic nanocatalysts (FeCo/C(b)) via a facile impregnation–pyrolysis route and incorporated them into MgH 2 through high-energy ball milling. The resulting MgH 2 +10 wt% FeCo/C(b) composite exhibited a dramatically reduced onset desorption temperature of 200 °C and delivered 6.46 wt% H2 within 20 min at 300 °C. Differential scanning calorimetry revealed a desorption peak shift of ∼101 °C and a ∼19 % reduction in apparent activation energy compared with pristine MgH 2 , highlighting the pronounced kinetic improvement. Remarkably, rehydrogenation initiated at only 60 °C, with rapid uptake of ∼6.37 wt% at 175 °C under 3 MPa H 2 , and the composite maintained >99 % capacity retention after 10 cycles. Microstructural characterizations confirmed the homogeneous dispersion and stability of FeCo/C(b) in the MgH 2 matrix, while interfacial mismatch and defect engineering were identified as the key factors facilitating hydrogen diffusion. This study demonstrates that biomass-derived carbon supports, combined with Fe–Co synergistic catalysis, offer an effective and sustainable strategy to achieve low-temperature, reversible hydrogen storage in MgH 2 .

研究领域: 材料科学 · 氢能存储 · 纳米催化 · 可持续材料 · 固态化学
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Materialia · 2018 · IF 0

A novel solid-solution MXene (Ti0.5V0.5)3C2 with high catalytic activity for hydrogen storage in MgH2

Zhengyang Shen,Zeyi Wang,Min Zhang,Mingxia Gao,Jianjiang Hu,Fang Du,Yongfeng Liu,Hongge Pan

A novel solid-solution MXene (Ti 0.5 V 0.5 ) 3 C 2 is successfully synthesized by exfoliating a solid-solution MAX phase (Ti 0.5 V 0.5 ) 3 AlC 2 , and its catalytic effect on the hydrogen storage reaction of Mg is systemically evaluated for the first time. Typical layer morphology is observed for the prepared (Ti 0.5 V 0.5 ) 3 C 2 , which exhibits a better catalytic activity than that of Ti 3 C 2 . The addition of 10 wt% (Ti 0.5 V 0.5 ) 3 C 2 remarkably reduces the dehydrogenation onset temperature of MgH 2 by 70 °C, from 266 to 196 °C. At 250 °C, approximately 5.0 wt% H 2 is released from the 10 wt% (Ti 0.5 V 0.5 ) 3 C 2 -containing MgH 2 within 20 min. The dehydrogenated sample rapidly absorbs 4.8 wt% H 2 within 5 s at 120 °C; these hydrogenation kinetics are much more superior even to the well-studied Nb 2 O 5 catalyst. The apparent activation energy is calculated to be 77.3 kJ/mol for the MgH 2 -10 wt% (Ti 0.5 V 0.5 ) 3 C 2 sample, which is only around half of that of the pristine MgH 2 (153.8 kJ/mol). This is responsible for the remarkably reduced dehydrogenation operating temperature. Moreover, the chemical states of (Ti 0.5 V 0.5 ) 3 C 2 during dehydrogenation are also analysed and discussed.

研究领域: 材料科学 · 能源存储
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DALTON TRANSACTIONS · 2022 ·Vol. 51 ·期 39 ·14960-14969 · IF 4.569

Ni3Fe/BC nanocatalysts based on biomass charcoal self-reduction achieves excellent hydrogen storage performance of MgH2

Quanhui Hou,Jiaqi Zhang,Zhu'An Zheng,Xinglin Yang,Zhao Ding

Bimetallic catalysts offer unique advantages for improving the hydrogen storage performance of MgH2. Herein, Ni3Fe/BC nanocatalysts were prepared via a simple solid phase reduction method using a low-cost biomass charcoal (BC) material as the carrier. The onset temperature of hydrogen release for the MgH2 + 10 wt% Ni3Fe/BC composite was 184.5 °C, which is 155.5 °C lower than that of pure MgH2. The dehydrogenated composite starts to absorb hydrogen at as low as 30 °C and is able to absorb 5.35 wt% of H2 within 10 min under 3 MPa hydrogen pressure at 150 °C. In comparison to pure MgH2, the apparent activation energies of dehydrogenation and rehydrogenation of MgH2 + 10 wt% Ni3Fe/BC were reduced by 52.89 kJ mol−1 and 23.28 kJ mol−1, respectively. The hydrogen storage capacity of the composite was maintained in 20 de/rehydrogenation cycles, indicating a good cycling stability. X-Ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray energy dispersive spectroscopy (EDS) characterization reveal that the in situ formation of multiphases Mg2Ni and Fe catalysts during the hydrogen uptake and release reaction and the transformation of Mg2Ni/Mg2NiH4 together contribute to the superior hydrogen adsorption and desorption performance of MgH2.

CAS / MDL: 7782-61-8 13478-00-7
研究领域: 材料科学 · 能源存储
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Journal of Energy Storage · 2024 · IF 8.9

Co@Pd bimetallic catalysts doped on the CNTs for bidirectional improving hydriding/dehydriding property of Mg/MgH2

Congwen Duan,Haimei Wang,Jinhui Wu,Ting Qu,Yuling Zhang,Dong Fu,Lianxi Hu,Fei Wang,Dongsheng Lai,Yueru Dai,Ying Wu

Mg/MgH 2 stands out as an excellent hydrogen storage material due to its abundant presence and its capacity for high hydrogen storage density. However, the sluggish hydrogenation/dehydrogenation kinetics make it unsuitable for solid-state hydrogen storage. To tackle these challenges, the MgH 2 -Co@Pd‑c arbon nanotubes composite was created through ball milling , and its hydrogenation/dehydrogenation behavior was examined. The inclusion of Co@Pd notably enhanced the kinetics of hydrogenation/dehydrogenation in Mg/MgH 2 . The Mg-Co@Pd‑c arbon nanotubes composite achieved an absorption of 7.30 wt% H 2 in just 8 h of milling. The study proposed an energy conversion model to investigate the enhanced properties of Mg/MgH 2 . The addition of Co@Pd substantially reduced the activation energy (Ea) for hydrogen desorption to 81.9 kJ/mol. Furthermore, Transmission Electron Microscope and Density Functional Theory simulations were employed to understand how Co@Pd enhances the properties of Mg/MgH 2 . The improved hydriding/dehydriding kinetics of Mg/MgH 2 are likely closely linked to both the confining impact of c arbon nanotubes and the synergistic interplay of the “spillover” and “hydrogen pump” effects facilitated by the Co@Pd bimetallic catalysts . The excellent hydriding/dehydriding behavior is ascribed to the electron spillover and the phase transformation of Mg 2 Co/Mg 2 CoH 5 and Mg 6 Pd/Pd. These findings offer new insights into the new insights into the rational design of Co@Pd bimetallic catalysts, which are expected to be an optimal solution for supported catalysts in Mg-based solid-state hydrogen storage systems.

CAS / MDL: 7439-95-4
研究领域: 材料科学 · 能源存储 · 催化化学
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RARE METALS · 2025 · IF 11

Constructing a Favorable Microenvironment for Robust Hydrogen Storage in MgH2 Through Synergistic Cooperation With Mn and Mg2Ni

Ya-Ke Wu,Kai Jia,Fu-Ying Wu,Bei-Bei Xiao,Ting Bian,Hu Liu,Hong Li,Liu-Ting Zhang

en Weakening the electrostatic attraction between Mg 2+ ions and H − ions in MgH 2 is vital for improving the kinetic performance of MgH 2 for hydrogen storage. Herein, a multivalent microenvironment is synergistically created by Mn and Mg 2 Ni to break the stable structure of MgH 2 , enabling rapid and stable de/hydrogenation performance. Specifically, the catalyzed MgH 2 system rapidly emits 5.98 wt% H 2 at 265°C within just 20 min and swiftly absorbs 6.24 wt% H 2 at 150°C in a mere 10 min. Microscopic characterization shows that a tight interface is formed between Ni and Mn 2 O 3 , which provides a stable anchor point for the formation of hydrogen pumps. Additionally, the multivalency of Mn and abundant oxygen vacancies accelerate the electron transfer and provide the shortest path for H dissociation. Moreover, density functional theory (DFT) indicates that Mg-H is extracted from 0.173 to 0.204 nm after modification, achieving a reduced decomposition energy of MgH 2 . Besides, 97.8% reversible hydrogen storage capacity was maintained after 30 cycles, presenting prominent potential for practical applications. 摘要 zh 削弱MgH 2 中Mg 2+ 离子与H − 离子之间的静电吸引力对于提升MgH 2 作为氢储存材料的动力学性能至关重要。在此,通过Mn与Mg 2 Ni的协同作用,构建了多价微环境,打破了MgH 2 的稳定结构,从而实现了快速且稳定的脱氢和加氢性能。具体而言,催化后的MgH 2 体系在265°C下仅需20分钟即可快速释放5.98 wt%的H 2 ,并在150°C下仅需10分钟即可迅速吸收6.24 wt%的H 2 。微观表征显示,Ni与Mn 2 O 3 之间形成紧密界面,为氢泵的形成提供了稳定的锚定点。并且,锰的多价性和丰富的氧空位加速了电子转移,并为氢的解离提供了最短路径。此外,DFT表明,经过改性后,Mg-H键键长从0.173 nm增加至0.204 nm,从而降低了MgH 2 的结合能。此外,经过30个循环后,可逆氢储存容量仍保持在97.8%,展现出显著的实际应用潜力。

CAS / MDL: 13478-00-7 7439-95-4
研究领域: 材料科学 · 能源化学 · 固态储氢 · 纳米催化 · 物理化学
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Journal of Magnesium and Alloys · 2024 · IF 15.8

Hydrogen storage performance of MgH2 under catalysis by highly dispersed nickel-nanoparticle–doped hollow spherical vanadium nitride

Jiaao Wu,Zhihao Liu,Haohua Zhang,Yongjin Zou,Bin Li,Cuili Xiang,Lixian Sun,Fen Xu,Ting Yu

Magnesium hydride (MgH 2 ) is an exceptional material for hydrogen storage, but its high desorption temperature and slow kinetics limit its applicability. In this study, the hydrogen storage performance of MgH 2 was enhanced using highly dispersed Ni-nanoparticle–doped hollow spherical vanadium nitride (Ni/VN), which was synthesized via a solvothermal process. The MgH 2 system doped with the synthesized Ni/VN exhibited an outstanding hydrogen-storage capability. Specifically, 5.6 wt.% of H 2 was released within 1 h at a relatively low temperature of 513 K, whereas 6.4 wt.% of H 2 was released within 180 s at 598 K, followed by an almost complete dehydrogenation after 10 min at 598 K. At 423 K, the developed material absorbed ∼6.0 wt.% of H 2 within 5 min. The activation energy for dehydrogenation was determined to be 78.07 ± 2.91 kJ·mol −1 , which was considerably lower than that of MgH 2 produced by ball milling (120.89 ± 5.74 kJ·mol −1 ), corresponding to a reduction of 35.4 %. It was deduced that the formation of Mg 2 Ni/Mg 2 NiH 4 (hydrogen pump) through the reaction of Ni nanoparticles during dehydrogenation/hydrogenation facilitated hydrogen transport and synergistically catalyzed hydrogen absorption and desorption by MgH 2 , improving its hydrogen storage capability. These findings offer novel perspectives for the utilization of MgH 2 in large-scale applications.

CAS / MDL: 7803-55-6
研究领域: 材料科学 · 能源存储 · 催化化学
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Advanced Energy Materials · 2024 · IF 24.4

Spring Effect Endowing P-doped Li3VO4 With Long-standing Catalytic Activity for Tuning Cycling Stability of MgH2

Wenqiang Hu,Jiahe Zang,Qisen Wang,Siyuan Xiao,Jichao Zhang,Fang Fang,Zhongliang Ma,Dalin Sun,Yun Song

Magnesium hydride (MgH 2 ) is a promising hydrogen storage material for its high hydrogen capacity of 7.6 wt.%. However, the further application is severely hampered by the sluggish reaction kinetics and stable thermodynamics. Introducing catalysts is an effective method to improve the reaction rate, but the catalytic activity tends to decrease with an increasing number of reaction cycles, due to the highly reductive Mg and H species. Herein, the spring effect has been observed in the P doped Li 3 VO 4 , in which both V─P and V─V bonds undergo compression and elongation during hydrogen absorption and desorption, respectively. Such a unique self-regulation spring effect not only improves the reaction kinetics of MgH 2 , but also maintains the high activity of P doped Li 3 VO 4 , thereby ensuring the hydrogen capacity of MgH 2 even after 100 loops. This spring effect of chemical bonding, stretched-recovered-stretched with the motion between the highly reductive Mg and H species, will provide insight into catalyst design for hydrogen-related industries.

CAS / MDL: 7803-55-6 1310-66-3
研究领域: 材料科学 · 能源存储与转换 · 催化化学
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INORGANIC CHEMISTRY · 2026 · IF 4.6

Regulating Dehydrogenation Kinetics of MgH2 via Late-Transition-Metal-Substituted Nb2AC MAX Phases (A = Fe, Ni, Cu)

Yanmei Chen,Qirtas Malik,Bolun Wang,Yu Wang,Mian Li,Tao Bo,Jianming Xue,Jianxin Zou,Qing Huang

The development of earth-abundant, low-cost, highly active catalysts to accelerate hydrogen absorption/desorption kinetics in Mg-based materials is critical for hydrogen energy applications. Here, we synthesize three MAX phases with nonconventional A-site elements─Nb2FeC, Nb2NiC, and Nb2CuC─and directly incorporate them into MgH2 matrices without hazardous HF etching. All three MgH2-10 wt % Nb2AC (A = Fe, Ni, Cu) composites exhibit a reduction in onset dehydrogenation temperature from 320 °C to approximately 190 °C, and their dehydrogenation temperature and kinetic behavior are markedly superior to Nb2AlC, demonstrating that substituting the A-site element Al with late transition metals substantially enhances catalytic performance toward MgH2 dehydrogenation. Among them, the MgH2-10 wt % Nb2NiC composite shows optimal performance, releasing ∼6.30 wt % H2 at 300 °C within 10 min and absorbing ∼5.01 wt % H2 at 175 °C within 3 min, while maintaining good cyclic stability. Experimental and theoretical results jointly confirm that Nb2NiC functions as an efficient electron-mediated catalyst, weakening Mg–H bonds and promoting H2 dissociation via interfacial electron transfer, thus significantly improving hydrogen storage kinetics.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Influence of a three-dimensional honeycomb Fe/N-MXene catalyst on the hydrogen storage performance of MgH2

Sizhi Ding,Hua Ning,Weitao Shi,Ruojiang Liu,Ziqi Liu,Jiakun Yang,Yuanxin Tan,Yi Fan,Haizhen Liu,Jin Guo,Zhiqiang Lan

In this study, a three-dimensional honeycomb Fe/N-MXene composite was prepared by heating the mixture of the prefabricated honeycomb N-MXene composite with Fe 4 [Fe(CN) 6 ] 3 (referred to as PB tube). Subsequently, it was introduced to enhance the hydrogen storage properties of MgH 2 through ball milling. Experimental results demonstrate that the initial dehydrogenation temperature of the MgH 2 +Fe/N-MXene composite system is 198 °C, which is significantly lower than that of pure MgH 2 . Additionally, the absorption/dehydrogenation activation energies of MgH 2 +Fe/N-MXene composites were reduced by 50.9 kJ mol −1 and 68.1 kJ mol −1 , respectively, compared with MgH 2 . After 20 min at 100 °C, 5.14 wt% H 2 is absorbed. Mechanism analysis reveals that the presence of Fe prolongs the length of the Mg–H bond and weakens its bond energy. The unique honeycomb structure of N-MXene provides more nucleation sites for hydrogen atoms for adsorption and storage. Under the catalytic action of Fe/N-MXene composite, the hydrogen storage capacity of MgH 2 is significantly improved.

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Green Energy & Environment · 2021 ·Vol. 8 ·期 2 ·589-600 · IF 8.207

Metal organic framework supported niobium pentoxide nanoparticles with exceptional catalytic effect on hydrogen storage behavior of MgH2

Liuting Zhang,Farai Michael Nyahuma,Haoyu Zhang,Changshan Cheng,Jiaguang Zheng,Fuying Wu,Lixin Chen

Nb 2 O 5 nanoparticles with an average particle size of 10 nm supported on a rhombic dodecahedral metal organic framework (MOF) were successfully synthesized by a facile one-pot hydrothermal reaction and subsequent calcination process. Experimental results demonstrated that the prepared catalyst drastically improved the hydrogen storage behavior of MgH 2 . 7 wt% Nb 2 O 5 @MOF doped MgH 2 started to desorb hydrogen at 181.9 °C and 6.2 wt% hydrogen could be released within 2.6 min and 6.3 min at 275 °C and 250 °C, respectively. The fully dehydrogenated composite also displayed excellent hydrogenation by decreasing the onset absorption temperature to 25 °C and taking up 4.9 wt% and 6.5 wt% hydrogen within 6 min at 175 °C and 150 °C, respectively. Moreover, the corresponding activation energy was calculated to be 75.57 ± 4.16 kJ mol −1 for desorption reaction and 51.38 ± 1.09 kJ mol −1 for absorption reaction. After 20 cycles, 0.5 wt% hydrogen capacity was lost for the MgH 2 +7 wt% Nb 2 O 5 @MOF composite, much lower than 1.5 wt% of the MgH 2 +7 wt% Nb 2 O 5 composite. However, the addition of Nb 2 O 5 @MOF had limited effect on reducing the dehydrogenation enthalpy of MgH 2 . Microstructure analysis revealed that Nb 2 O 5 particles were uniformly distributed on surface of the MgH 2 matrix and synergistically improved the hydrogen storage property of MgH 2  with MOF.

研究领域: 材料科学 · 无机化学 · 纳米催化 · 能源存储 · 氢能源 · 固态储氢
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2026 · IF 9.2

Fe3O4/FeNi3 heterojunction modified MgH2 as a high-performance hydrogen storage material: Catalytic mechanism and kinetic enhancement

Dianchen Feng,Jianshe Zhang,Xiaokun Jiang,Hao Li,Baodui Wang,Yanghuan Zhang

Hydrogen is regarded as an attractive secondary energy carrier because of its high gravimetric energy density and environmentally benign conversion products. However, the practical application of hydrogen energy is still strongly limited by the lack of safe and efficient hydrogen storage materials. Among various solid-state hydrogen storage candidates, MgH 2 has attracted extensive attention due to its high theoretical hydrogen capacity, natural abundance, and low cost. Nevertheless, its practical use is hindered by high thermodynamic stability and sluggish hydrogen absorption/desorption kinetics. In this work, a rod-like Fe 3 O 4 /FeNi 3 heterointerface catalyst regulated by multivalent Mo and V species was synthesized via a one-step hydrothermal route followed by calcination, and its catalytic effect on the hydrogen storage behavior of MgH 2 was systematically investigated. The results show that the addition of the catalyst markedly improves the hydrogen sorption performance of MgH 2 . In particular, the MgH 2 + 5 wt% catalyst composite absorbs 5.70 wt% H 2 within 1 min and desorbs 6.52 wt% H 2 within 10 min at 593 K, indicating a substantial enhancement in sorption kinetics. Meanwhile, the onset dehydrogenation temperature is significantly reduced from 570 K for pristine MgH 2 to 463 K for the catalyst-containing sample, and the apparent dehydrogenation activation energy decreases from 132.66 to 69.85 kJ mol −1 H 2 . Structural and kinetic analyses suggest that the enhanced performance mainly originates from the synergistic effect of the Fe 3 O 4 /FeNi 3 heterointerface, which facilitates H 2 dissociation, interfacial hydrogen transfer, and Mg–H bond activation. The Mo/V species are considered to act primarily as electronic regulators at the surface/interface region rather than as separate bulk crystalline phases. This work provides useful insight into oxide-metal heterointerface engineering for improving the hydrogen storage properties of MgH 2 .

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Journal of Materials Chemistry A · 2019 ·Vol. 7 ·期 23 ·14244-14252 · IF 10.733

In situ formed ultrafine NbTi nanocrystals from a NbTiC solid-solution MXene for hydrogen storage in MgH2

Zeyi Wang,Xuelian Zhang,Zhuanghe Ren,Yong Liu,Jianjiang Hu,Haiwen Li,Mingxia Gao,Hongge Pan,Yongfeng Liu

A novel 2D layered NbTiC solid-solution MXene was synthesized from its MAX phase via a wet chemical etching process. While ball milling the NbTiC MXene with MgH2, ultrafine bimetal NbTi nanocrystals were formed in situ with a grain size of 5 nm, which offer highly stable catalytic activity for the hydrogen storage reaction of MgH2. The MgH2-9 wt% NbTiC sample starts releasing hydrogen from 195 °C, which is 80 °C lower than that for the additive-free sample. At 250 °C, it releases approximately 5.8 wt% H2 within 30 min, and the fully dehydrogenated sample takes up 4.0 wt% H2 within 15 min even at 50 °C under 50 bar H2 pressure. DFT calculations reveal a charge transfer process from Ti atoms to Nb atoms in the NbTi cluster and a lower absolute value of the adsorption energy of H2 on NbTi. This would presumably benefit both the breakage of Mg–H bonding and the detachment of H2 from the NbTi surface, and consequently lead to good catalytic activity.

研究领域: 材料科学 · 能源科学
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