International Journal of Hydrogen Energy最新文献

{"title":"Flame dynamics and chemical kinetics analysis of premixed methane-hydrogen-air blends in variable cross-section pipes","authors":"Mingzhao Wang ,&nbsp;Qingzhao Li ,&nbsp;Xiaoping Wen ,&nbsp;Zhidong Guo ,&nbsp;Feixiang Zhong ,&nbsp;Xiong Ding","doi":"10.1016/j.ijhydene.2026.153665","DOIUrl":"10.1016/j.ijhydene.2026.153665","url":null,"abstract":"<div><div>Blending hydrogen into existing natural gas pipelines offers a cost-effective route for hydrogen transportation, yet hydrogen's distinct physicochemical properties and the geometric heterogeneity of industrial piping can alter explosion dynamics and increase the hazard potential. Here, explosion characteristics and pressure responses of methane/hydrogen/air premixed mixtures is investigated in a variable cross-section pipe over a range of equivalence ratio (Φ) and hydrogen volume fraction (<span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span>). The results show that the membrane rupture time decreases monotonically with increasing <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span>, whereas the rupture pressure fails to show a strictly positive correlation with <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span>. After membrane rupture, the flame morphology exhibits irregular transitions; the tulip flame becomes increasingly pronounced with rising <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span>, and a clear, complete tulip flame is observed only when <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span> ≥ 50 %. Furthermore, the propagation process triggers unstable oscillations, with primary instability oscillations displaying regular periodic patterns at Φ = 0.8 and Φ = 1.2. The maximum amplitude of unstable oscillations occurs at the variable cross-section chamber, with the peak oscillation amplitude reaching 101.69 kPa at Φ = 1 and <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span> = 30 %. Chemical kinetic analysis based on GRI-Mech 3.0 reveals that the endothermic reaction is consistently dominated by R38, while at Φ = 1.2, the dominant heat release reaction shifts from R10 to R52 as the <span><math><mrow><msub><mi>α</mi><msub><mi>H</mi><mn>2</mn></msub></msub></mrow></math></span> increases.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153665"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A generative machine learning model for designing metal hydrides applied to hydrogen storage","authors":"Xiyuan Liu ,&nbsp;Christian Hacker ,&nbsp;Shengnian Wang ,&nbsp;Yuhua Duan","doi":"10.1016/j.ijhydene.2026.153744","DOIUrl":"10.1016/j.ijhydene.2026.153744","url":null,"abstract":"<div><div>Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized hydrides, which constrains the discovery of optimal candidates. This work presents a framework that integrates causal discovery with a lightweight generative machine learning model to generate novel metal hydride candidates that may not exist in current databases. Using a dataset of 450 samples (270 training, 90 validation, and 90 testing), the model generates 1000 candidates. After ranking and filtering, six previously unreported chemical formulas and crystal structures are identified, four of which are validated by density functional theory simulations and show strong potential for future experimental investigation. Overall, the proposed framework provides a scalable and time-efficient approach for expanding hydrogen storage datasets and accelerating materials discovery.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153744"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Text-mining and bibliometric analyses for proton exchange membrane electrolyzers","authors":"Ayca Firtin ,&nbsp;Ayca Yilmaz ,&nbsp;Inci Eroglu ,&nbsp;Ramazan Yildirim ,&nbsp;Damla Eroglu","doi":"10.1016/j.ijhydene.2026.153666","DOIUrl":"10.1016/j.ijhydene.2026.153666","url":null,"abstract":"<div><div>The dependence on technology has increased, along with the development and change in living standards, which has led to increased energy demand and emissions. Therefore, researchers have focused on green hydrogen production to meet the energy demand and reduce emissions. The proton exchange membrane (PEM) electrolysis is one of the most promising methods for producing green hydrogen, attracting increasing attention from researchers in academia and industry. This study focuses on the bibliometric and text-mining analyses of PEM electrolyzers to identify general trends and the current state of the literature, thereby guiding researchers in future work. In this regard, a dataset was first generated using keywords and abstracts extracted from the Scopus webpage. Then, bibliometric and text-mining analyses were conducted on the dataset using R Studio and Python modeling. Our results demonstrate that research on PEM electrolyzers has increased significantly over the past few years, along with an expansion in the diversity of research topics within the field. Most studies in the literature have focused on material design and the integration of PEM electrolyzers with alternative energy systems. Furthermore, techno-economic analysis, life cycle assessment, multi-objective optimization, and machine learning are identified as emerging research areas. Overall, this work provides a comprehensive overview of the current state of PEM electrolyzer research and identifies future directions emphasizing advanced materials development, renewable energy integration, and sustainable energy management strategies.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153666"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative evaluation of a hydrogen/methanol combined-injection SI engine under dilute combustion conditions using various dilution working fluids","authors":"Bo Li ,&nbsp;Qian Wang ,&nbsp;Fei Zhong ,&nbsp;Yankun Jiang ,&nbsp;Rong Han","doi":"10.1016/j.ijhydene.2026.153698","DOIUrl":"10.1016/j.ijhydene.2026.153698","url":null,"abstract":"<div><div>Dilute combustion enhances engine fuel economy and reduces NOx emissions through lean burn, EGR, or their combination. In this study, dilution rate (R_D)—defined as the ratio of total intake mass (fresh air + EGR) to stoichiometric air—is used to quantify dilution intensity. Experiments on a hydrogen/methanol combined-injection SI engine investigate the effects of R_D, λ, R_EGR, and hydrogen injection proportions (HIP). Results show that higher HIP improves combustion performance—especially under high R_D and R_EGR—but increases NOx. Increasing R_D enhances thermal efficiency and lowers NOx at the expense of stability. Higher R_EGR suppresses NOx but deteriorates combustion, particularly at elevated R_D. Both higher HIP and lower R_EGR reduce HC and CO emissions. The optimal condition—10 % HIP, 1.3 R_D, 0 % R_EGR—balances efficiency, stability, and emissions: BTE increases by 5.46 %, while BSFC, COV_IMEP, BSNOx, BSHC, and BSCO decrease by 8.47 %, 4.10 %, 0.91 %, 12.84 %, and 77.0 %, respectively.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153698"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental and DFT study on the NH3/O2 adsorption characteristics and mechanism in NH3/coal co-firing","authors":"Youxing Wei ,&nbsp;Jiazhou Sun ,&nbsp;Jianfeng Cai ,&nbsp;Yueyue Xia ,&nbsp;Zerun Lin ,&nbsp;Zhongya Xi ,&nbsp;Zhimin Lu ,&nbsp;Shunchun Yao","doi":"10.1016/j.ijhydene.2026.153545","DOIUrl":"10.1016/j.ijhydene.2026.153545","url":null,"abstract":"<div><div>Green ammonia and coal co-firing technology can fundamentally reduce CO₂ emissions from coal-fired power plants, and its market feasibility has been verified. However, the complex coal/NH₃/O₂ interaction in NH₃/coal co-firing remains unclear. In addition to the widely studied competition between coal and NH₃ for O₂, the persistent adsorption behavior on coal char surfaces in co-firing systems requires further investigation. This study experimentally investigates the adsorption and kinetic characteristics of NH₃/O₂ (alone or coexisting) on coal char surfaces and employs density functional theory (DFT) to elucidate the adsorption behavior at the microscopic level. Experimental results show that oxygen-containing functional groups and active carbon sites enhance the adsorption of O₂ and NH₃. The adsorption capacity for O₂ is stronger than that for NH₃, primarily driven by chemisorption. Under NH₃/O₂ coexistence conditions, the oxygen-containing functional groups generated from adsorbed O₂ at low concentrations provide additional binding sites for NH₃, showing a synergistic effect. At high concentrations, O₂ preferentially occupies the key active sites and inhibits NH₃ adsorption, dominating the competitive effect. Adsorption kinetics show that models such as Langmuir can effectively predict the NH₃/O₂ chemisorption characteristics. DFT results show that O₂ preferentially adsorbs onto carbonyl sites, which significantly enhances the electron mobility of the char, whereas NH₃ tends to bind on carboxylic groups and unsaturated carbon sites, mainly relying on weak interactions. Under co-adsorption conditions, O₂ forms an electron accumulation region through strong π-π interactions, while NH₃ achieves synergistic adsorption via hydrogen bonding or coordination with carboxyl groups. The synergistic effect enhances the electron interaction strength, but the competitive effect affects the adsorption efficiency and reaction path. This study provides a new basis for the adsorption behavior and synergistic and competitive effects in NH₃/coal co-firing.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153545"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced hydrogen production from coal tar over highly dispersed Ce–Ni/ZrO2 catalysts","authors":"Muzamil Ali Brohi ,&nbsp;Mingyu Ma ,&nbsp;Juan Wu ,&nbsp;Jacob Senior Atta Owusu ,&nbsp;Dengxin Li ,&nbsp;Mazhar Ahmed Memon ,&nbsp;Jiahui Li ,&nbsp;Xiaochao Zou ,&nbsp;Guien Zhou ,&nbsp;Wenjing Sang","doi":"10.1016/j.ijhydene.2026.153547","DOIUrl":"10.1016/j.ijhydene.2026.153547","url":null,"abstract":"<div><div>Catalytic steam gasification is a promising route for converting coal tar, a challenging heavy by-product, into high-value hydrogen-rich syngas. The process allows for the efficient conversion of complex hydrocarbons, yet the search for cost-effective and highly active catalysts to maximize hydrogen yield remains a key research objective. This study investigated the catalytic performance of Ce-doped Ni/ZrO₂ catalysts in hydrogen-rich syngas production via steam gasification of coal tar. Initially, a series of Ni/ZrO₂ catalysts with varying Ni loadings was synthesized and tested. Among these, the 20Ni/ZrO₂ catalyst exhibited the highest hydrogen yield 29.64 mmol g⁻¹, compared to only 20.67 mmol g⁻¹ obtained in the absence of any catalyst, confirming the catalytic contribution of Ni/ZrO₂ toward enhanced gasification efficiency. To further improve performance, Ce was incorporated into the optimal Ni/ZrO₂ catalyst, forming Ce_xNi_1-x/ZrO₂ to improve the catalytic performance. The 5Ce5Ni/ZrO₂ catalyst demonstrated superior activity, achieving the maximum hydrogen yield of 34.78 mmol g⁻¹, representing a substantial improvement over both the non-catalytic and Ni-only systems. Structural characterizations using XRD, XPS, BET, SEM-EDX, Raman spectroscopy, TGA and TEM, revealed that Ce doping enhanced Ni dispersion, surface area, and redox behavior. These findings confirm that Ce incorporation optimizes the Ni/ZrO₂ catalyst structure, enabling more efficient hydrogen-rich syngas production during catalytic steam gasification of coal tar.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153547"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ni–Pt versus Ni–Pt–Ni layered electrodes for water electrolysis obtained by molten-salt Al deposition/dissolution technique","authors":"Dawid Kutyła ,&nbsp;Michihisa Fukumoto ,&nbsp;Hiroki Takahashi ,&nbsp;Ryuu Takahashi ,&nbsp;Katarzyna Skibińska ,&nbsp;Piotr Żabiński","doi":"10.1016/j.ijhydene.2026.153450","DOIUrl":"10.1016/j.ijhydene.2026.153450","url":null,"abstract":"<div><div>Porous Ni–Pt and Ni–Pt–Ni electrocatalysts were produced by molten-salt aluminium deposition and dissolution, which created continuous porous foams with high internal surface area. Structural analysis confirmed that the simple Ni–Pt bilayer evolves into a Pt-rich surface, and the sandwich Ni–Pt–Ni architecture retains most of the Pt within the porous structure. Catalytic tests reveals differences in HER (Hydrogen Evolution Reaction) and OER (Oxygen Evolution Reaction) kinetics: the Ni–Pt foam reaches −100 mA cm⁻² for HER at −102 mV and displays a low Tafel slope of 32.2 mV dec⁻¹, while the Ni–Pt–Ni foam requires −179 mV and shows 42.6 mV dec⁻¹. Both Pt-containing foams also reduce the OER overpotential to ≈+1.69 V at +100 mA cm⁻². The results demonstrate that maximising Pt exposure in the interface area is key to tailoring noble-metal performance materials for water splitting applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153450"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nitrogen-doped hollow mesoporous carbon spheres loaded with Pt nanoparticles for PEM water electrolysis","authors":"Yan Zhou ,&nbsp;Yufeng Gu ,&nbsp;Guomin Tong ,&nbsp;Jiabing Luo ,&nbsp;Xingzhao Wang ,&nbsp;Qian Di ,&nbsp;Han Tang ,&nbsp;Shutao Wang ,&nbsp;Jun Zhang","doi":"10.1016/j.ijhydene.2026.153636","DOIUrl":"10.1016/j.ijhydene.2026.153636","url":null,"abstract":"<div><div>The development of a low platinum (Pt) loading, highly efficient and stable cathode catalyst is an important part of achieving a large-scale application of PEM water electrolysis. In this work, we developed a Pt-based composite catalyst with low Pt loading, ultra-small Pt nanoparticle size, and ultra-low overpotential with nearly 4 times the mass activity of commercial Pt/C, as well as excellent stability. By modulating the pyridine nitrogen content in the nitrogen-doped carbon carrier, we optimized the dispersion, adsorption and anchoring of the Pt precursor. The valence state of the active component was tuned to improve the catalytic activity of hydrogen evolution reaction (HER) by electron transfer between the non-metallic nitrogen and the noble metal Pt, and the noble metal loading was effectively reduced. Through the synergistic effect of multiple domain confinement by the special structure of hollow mesoporous carbon spheres and the strong electronic metal-support interaction (EMSI) effect, the problem of Pt particle agglomeration during the reduction and electrochemical decomposition of water is alleviated, resulting in a catalyst with high noble metal utilization, excellent catalytic activity and stability, which has the potential to be applied in PEM electrolyzers.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153636"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dysprosium-driven electronic regulation in Fe/CoB catalysts: Efficient hydrogen generation from NaBH4 hydrolysis","authors":"Chenxi Shang ,&nbsp;Zhendong Gao ,&nbsp;Boxuan Lu ,&nbsp;Huaxia Zhou ,&nbsp;Tingting Tang ,&nbsp;Tayirjan Taylor Isimjan ,&nbsp;Xiulin Yang","doi":"10.1016/j.ijhydene.2026.153706","DOIUrl":"10.1016/j.ijhydene.2026.153706","url":null,"abstract":"<div><div>Rare-earth metal-based materials have rapidly gained attention as leading candidates for high-performance hydrogen storage, offering a promising direction for the advancement of clean energy technologies. In this study, a novel composite catalyst (Fe–Dy₂O₃/CoB) was constructed by introducing the rare-earth metals dysprosium (Dy), which significantly enhanced the catalytic performance of sodium borohydride hydrolysis. The experimental findings revealed that the Fe–Dy₂O₃/CoB catalyst demonstrated outstanding hydrogen generation efficiency (5512.4 mL min⁻¹ g⁻¹), accompanied by a notably low apparent activation energy (47.81 kJ mol⁻¹) at 25 °C. Our results reveal that the incorporation of dysprosium not only optimized the electronic structure of the catalyst but also significantly improved the adsorption and activation of reactants. Additionally, the inclusion of iron imparted magnetic properties to the catalyst, facilitating easy separation and recycling via an external magnetic field. Notably, the hydrogen generated via this catalytic system is sufficient to power fuel cell-driven small vehicles, fully showcasing its practical application capability in on-demand hydrogen supply scenarios. This work highlights the untapped potential of rare-earth elements in tailoring the electronic structure of multi-component catalysts. It establishes a generalizable strategy for designing next-generation hydrogen generation systems based on NaBH₄ hydrolysis.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153706"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles study of structural, elastic, electronic, optical, thermodynamic, phonon, and hydrogen storage properties of XMg2H5 (X =Li, Na, K)","authors":"Salih Ermiş ,&nbsp;Sümeyra Yamçıçıer ,&nbsp;Cihan Kürkçü","doi":"10.1016/j.ijhydene.2026.153663","DOIUrl":"10.1016/j.ijhydene.2026.153663","url":null,"abstract":"<div><div>First-principles density functional theory calculations were performed to investigate the structural, elastic, electronic, optical, thermodynamic, and hydrogen storage properties of LiMg₂H₅, NaMg₂H₅, and KMg₂H₅ compounds. All structures crystallize in the orthorhombic <em>Pmmn</em> phase and exhibit negative formation energies (−0.207, −0.183, and −0.242 eV), indicating thermodynamic stability. The calculated bulk and shear moduli are 45.27 and 35.22 GPa for LiMg₂H₅, 22.48 and 19.53 GPa for NaMg₂H₅, and 36.63 and 26.67 GPa for KMg₂H₅, revealing strong interatomic bonding and mechanical stability. The corresponding Poisson's ratios (0.19–0.24) confirm brittle elastic behavior. The electronic band gaps are 2.97 eV for LiMg₂H₅, 3.07 eV for NaMg₂H₅, and 2.76 eV for KMg₂H₅, verifying their semiconducting character, which is suitable for hydrogen-related applications. Optical analysis indicates pronounced interband transitions in the ultraviolet region with plasmon peaks around 9–12 eV. The Debye temperatures obtained from thermodynamic analysis are 807.62 K, 547.98 K, and 588.16 K, respectively, implying stable lattice dynamics. The theoretical gravimetric hydrogen capacities are 8.32 wt%, 6.58 wt%, and 5.43 wt%, with corresponding desorption temperatures of 152.47 K, 135.14 K, and 178.59 K. These results provide detailed insight into the structural stability, mechanical hardness, electronic nature, and hydrogen storage potential of Mg-based hydrides.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153663"},"PeriodicalIF":8.3,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}