International Journal of Hydrogen Energy最新文献

{"title":"Dynamic Cr-valence regulation and interfacial electronic reconstruction in hierarchical Cr2O3@CuO heterostructures for high-efficiency ammonia-to-hydrogen conversion","authors":"Ye He,&nbsp;Xiaoyang Wang,&nbsp;Yue Shen,&nbsp;Songju Luo,&nbsp;Zhaoqin Xu,&nbsp;Xiaojiang Mu,&nbsp;Lei Miao","doi":"10.1016/j.ijhydene.2026.156228","DOIUrl":"10.1016/j.ijhydene.2026.156228","url":null,"abstract":"<div><div>As ammonia (NH₃) emerges as a pivotal renewable hydrogen carrier, the development of cost-effective and high-performance electrocatalysts for the ammonia oxidation reaction (AOR) is imperative for sustainable hydrogen production. However, non-noble-metal catalysts are frequently bottlenecked by sluggish kinetics, restricted active-site exposure, and severe intermediate poisoning. Herein, a hierarchical Cr₂O₃@CuO heterostructure was synthesized on nickel foam via a two-step hydrothermal method. The optimized nanocatalyst delivers a remarkable AOR activity, achieving 10 mA cm⁻² at a low potential of 1.32 V vs. RHE, alongside exceptional durability for 36 h at a high current density of 150 mA cm⁻². Experimental and density functional theory (DFT) studies reveal that Cr incorporation enriches oxygen vacancies and downshifts the d-band center from −1.12 eV to −1.79 eV. Notably, the dynamic evolution of high-valent Cr⁶⁺ species during AOR effectively attenuates intermediate adsorption, lowering the maximum dehydrogenation free-energy barrier from 2.06 to 0.96 eV. This study underscores the significance of dynamic valence regulation in enhancing AOR kinetics and provides a robust paradigm for the rational design of transition-metal-based catalysts for the ammonia-to-hydrogen economy.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156228"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502679","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":"Investigation of multi-parameter effects on the morphological evolution and critical thresholds of lean ammonia/hydrogen flame instabilities","authors":"Xinyang Tian,&nbsp;Conghui Shan,&nbsp;Wenchao Zhu,&nbsp;Xinyi Xiong,&nbsp;Jiabei Cao,&nbsp;Xiangyu Meng,&nbsp;Mingshu Bi","doi":"10.1016/j.ijhydene.2026.156249","DOIUrl":"10.1016/j.ijhydene.2026.156249","url":null,"abstract":"<div><div>Hydrogen (H₂) blending improves ammonia (NH₃) combustion but enhances flame intrinsic instabilities. This study investigated the effects of H₂ blending (0-30%), CO₂ and N₂ dilution (0-15%), and pressure (0.3-0.8 MPa) on NH₃/H₂ flame instability at 450 K and an equivalence ratio of 0.8. The results show that H₂ addition decreases the effective Lewis number (<em>Le</em>_eff) and flame thickness (<em>δ</em>), intensifying hydrodynamic (HI) and thermo-diffusive instabilities (TDI), which accelerate crack growth and cell branching. Diluent addition, particularly CO₂, mitigates HI and TDI. Increasing pressure primarily promotes HI by reducing <em>δ</em>, accelerating crack propagation. Experimentally, buoyancy effects increase with rising pressure, while pronounced HI and TDI enhance flame propagation at higher pressures. Linear stability analysis identifies molecular diffusion as the dominant driver of TDI variations. Furthermore, H₂ and diluents influence the critical radius (<em>R</em>_cr) by modifying <em>Le</em>_eff and <em>δ</em>, whereas increased pressure lowers <em>R</em>_cr by reducing <em>δ</em>.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156249"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502711","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":"Study of C − H bond cleavage of methane on transition metal cluster NiCo catalyst via first principles method","authors":"Niyati Gajjar,&nbsp;Sanjeev K. Gupta,&nbsp;P.N. Gajjar","doi":"10.1016/j.ijhydene.2026.156273","DOIUrl":"10.1016/j.ijhydene.2026.156273","url":null,"abstract":"<div><div>In this study, we investigated the catalytic performance of bimetallic Ni₃Co and Ni₄Co clusters for methane dissociation using density functional theory (DFT). Structural optimization and cohesive energy analysis revealed that Ni₄Co exhibits 14.33 % higher thermodynamic stability compared to Ni₃Co. Adsorption and energetics of CH₄, CH_X (X = 0–3), and H were analyzed to clarify the reaction mechanism. The adsorption and co-adsorption processes were explored. Methane dissociation was investigated via stepwise dehydrogenation, with transition states for each C–H bond cleavage determined using the CI-NEB method. The Ni₃Co@Bottom site demonstrated the most favorable conditions for the initial CH₄ activation, characterized by a low activation energy and exothermic reaction profile. The Ni₄Co@Top site emerged as the most efficient for CH₃ to CH₂ and CH to C + H conversions, exhibiting low energy barriers and favorable energetics. The results demonstrate the catalytic performance of Ni₄Co@Top and Ni₃Co@Bottom can enhance methane conversion efficiency.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156273"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502712","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 comparative study on biohydrogen production from selected fruit peel wastes: regional and experimental experiences","authors":"Cynthia Kusin Okoro-Shekwaga,&nbsp;Collin Irumba,&nbsp;Isah Sani Saidu,&nbsp;Matthew Reilly,&nbsp;Elizabeth Kisaaka,&nbsp;Henry Amanya,&nbsp;Swaib Semiyaga,&nbsp;Robinah Kulabako,&nbsp;Vianney Tumwesige,&nbsp;Miller Alonso Camargo-Valero","doi":"10.1016/j.ijhydene.2026.156144","DOIUrl":"10.1016/j.ijhydene.2026.156144","url":null,"abstract":"<div><div>The relatively slow advancement in biohydrogen research across Sub-Saharan Africa (SSA) countries, like Uganda, puts them at risk of <em>‘Copy-Pasting’</em> technologies designed for more advanced economies. This study uses a Multi-Factorial Design of Experiment to compare biohydrogen production profiles from three organic waste types (banana peel, pineapple peel and mixed peels), at four inoculum-to-substrate ratios (2:1, 1:1, 0.5:1 and 0.25:1), across three sites (Kampala, Uganda, and Leeds and York, United Kingdom). The results showed that the maximum biohydrogen yield was significantly higher in Leeds (116.3 mLH₂/gVS) and York (59.1 mLH₂/gVS) than Kampala (15.7 mLH₂/gVS). Moreover, the correlation analysis of key operating parameters showed vast inconsistencies in the performance profiles across the three sites, suggesting that data from one region cannot be used to inform technology uptake in a different region. A conscious approach to biohydrogen research and development is needed to enable technology adaptation to local resources across SSA.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156144"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Permeation behaviour of hydrogen isotopes in molten FLiBe (2LiF–BeF2): Identifying sources of uncertainty and associated measurement challenges","authors":"Abhishek Saraswat,&nbsp;Weiyue Zhou,&nbsp;Nayoung Kim,&nbsp;Jaron F. Cota,&nbsp;Guiqiu Zheng,&nbsp;Alexander A. Khechfe,&nbsp;Caroline S. Barthel,&nbsp;Michael P. Short,&nbsp;Rémi Delaporte-Mathurin,&nbsp;Kevin B. Woller","doi":"10.1016/j.ijhydene.2026.156016","DOIUrl":"10.1016/j.ijhydene.2026.156016","url":null,"abstract":"<div><div>This paper presents results from systematic investigations conducted in the HYPERION facility to quantify permeabilities of hydrogen isotopes in FLiBe over a temperature range of 773K – 973K. To address the knowledge gap resulting from widely scattered transport parameters reported in the earlier studies, HYPERION experiments incorporate specific provisions to probe unsubstantiated assumptions, including a one-dimensional permeation, membrane surface coverage by the salt, and ideal wettability of the salt-metal interface. Suppression of the isotopic transport behaviour for metal-side charging highlights the permeation barrier characteristics of a bubble-laden Ni–FLiBe interface, impacting permeability by up to 77%. This work attempts to resolve this issue via salt-side charging and informs constraints on the permeant charging methodology for future studies. The initial insights from HYPERION experiments call into question the design choices and estimated transport properties in earlier works. This study provides a plausible explanation for the observed scatter in H/D/T transport in FLiBe.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156016"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148403159","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":"Donor-acceptor dual-ligand targeted NiFe-MOF nanoflowers as highly efficient bifunctional OER/HER electrocatalysts for water-splitting","authors":"Huijuan Han,&nbsp;Yalei Zhang,&nbsp;Yingrui He,&nbsp;Dandan Wang,&nbsp;Qiuhe Ren,&nbsp;WeiJia Ye,&nbsp;Aoyu Zhang,&nbsp;Yueli Wang","doi":"10.1016/j.ijhydene.2026.156080","DOIUrl":"10.1016/j.ijhydene.2026.156080","url":null,"abstract":"<div><div>Herein, a donor-acceptor dual-ligand integration strategy is employed to achieve bi-functional optimization of a MOF-based electrocatalyst for water-splitting cells. In addition to 1,1′-ferrocenedicarboxylic acid, as a consequence of incorporating a nitrogen-containing ligand 4,4′-bipyridine to further regulate the geometric structure and increase the number of active sites, a nanoflower-like NiFe-MOF has been successfully fabricated, exhibiting significantly lower overpotentials of 244 mV and 196 mV at 10 mA cm⁻² with Tafel slopes of 99 mV·dec⁻¹ and 146 mV·dec⁻¹ in OER and HER, respectively. Theoretical calculations indicates that the electronic structures are well modulated, and the Fe sites are identified as the predominant active centers for OER, showing more favorable reaction energetics compared to Ni sites. This work demonstrates the positive effects of dual-ligand regulation and bimetallic synergistic function on OER/HER catalysts, providing valuable insights for the rational design of cost-effective MOF-based bifunctional OER/HER electrocatalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156080"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502672","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":"Cu–ZnO–ZnAl2O4 spinel nanosheet catalyst for stable and efficient hydrogen production from aqueous-phase reforming of methanol","authors":"Dan Liu,&nbsp;Shizhi Tan,&nbsp;Xujia Pan,&nbsp;Fei Mao,&nbsp;Haojie Qian,&nbsp;Zebo Wu,&nbsp;Huibin Yin,&nbsp;Shiyuan Gao,&nbsp;Yongjun Xu","doi":"10.1016/j.ijhydene.2026.156239","DOIUrl":"10.1016/j.ijhydene.2026.156239","url":null,"abstract":"<div><div>Cu-based catalysts are prone to sintering and deactivation under the high-temperature conditions of methanol aqueous-phase reforming of methanol (APRM). ZnAl₂O₄ spinel has attracted much attention due to its flexible surface properties and tunable structural composition. Therefore, this study proposes a dual-modification strategy involving the incorporation of ZnO nanosheets and sesbania powder(SP)-derived carbon species on ZnAl₂O₄ spinel support, thereby promoting the highly dispersed distribution of Cu nanoparticles and preparing a Cu/ZnO–ZnAl₂O₄–C catalyst (CZZAC). The H₂ production rate of the CZZAC catalyst is 66.22 μmolH₂/g_cat./s under 210 °C. Based on the TPSR characterization analysis of the APRM reaction path, the results show that the CZZAC catalyst begins to produce hydrogen at 145 °C and follows the reaction path of the methyl formate intermediate product. This research has prepared a novel spinel nanosheet, demonstrating its effectiveness in preparing highly dispersed Cu catalysts, and providing a practical and economical alternative to noble metal catalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156239"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502675","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":"From atomic traps to macroscopic fracture: A multi-scale review of hydrogen embrittlement mechanisms in austenitic stainless steels","authors":"Ying Li,&nbsp;Ningnian Gou,&nbsp;Xiaoxia Jiang,&nbsp;Jiale You,&nbsp;Yongqiang Zhang,&nbsp;Tao Zhang,&nbsp;Haowei Liu,&nbsp;Yonghong Li,&nbsp;Haibo Liu,&nbsp;Hongcun Bai","doi":"10.1016/j.ijhydene.2026.156118","DOIUrl":"10.1016/j.ijhydene.2026.156118","url":null,"abstract":"<div><div>Hydrogen embrittlement is a failure mode in hydrogen-containing environments, especially under high pressure. It threatens safety and lifespan of hydrogen infrastructure and chemical equipment. Understanding it requires a multi-scale perspective. This review summarizes advances in embrittlement of austenitic stainless steels through macroscopic, mesoscopic, and microscopic analyses. At the macroscopic scale, it discusses the effects of hydrogen pressure, temperature, and loading rate on embrittlement behavior and failure. At the mesoscopic scale, it examines the roles of grain size, welding residual stress, and grain-boundary character in hydrogen diffusion and crack initiation. At the microscopic scale, it analyzes hydrogen interactions with lattice defects, including trapping, enrichment, and migration at dislocations, grain boundaries, and nano-precipitates. Classical and cooperative mechanisms are summarized. A data-driven synthesis of fatigue crack growth data reveals relationships between environmental and intrinsic factors. This review provides a framework for evaluating hydrogen compatibility, optimizing processing routes, and guiding design and integrity assessment.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156118"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502676","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 oxygen evolution reaction through Fe–Co synergy in porphyrin-based graphdiyne-like polymers","authors":"Xueyan Li,&nbsp;Wei Yang,&nbsp;Chaojie Lyu,&nbsp;Jiarun Cheng,&nbsp;Shasha Li,&nbsp;Jinrong Wang,&nbsp;Zhuo Chen,&nbsp;Yiming Liu","doi":"10.1016/j.ijhydene.2026.156112","DOIUrl":"10.1016/j.ijhydene.2026.156112","url":null,"abstract":"<div><div>Water electrolysis is a promising route for sustainable hydrogen production, yet the sluggish oxygen evolution reaction (OER) limits its practical application. Graphdiyne (GDY) analogues integrating catalytic centers are attractive OER catalysts owing to their extended conjugation and tunable active sites. Herein, a series of iron/cobalt bimetallic porphyrin-based GDY-like polymers (P–Fe₁Co₃-TEPP, P–Fe₃Co₁-TEPP, P–Fe₁Co₁-TEPP) with tunable metal ratios were synthesized via Glaser–Hay coupling of Fe- and Co-porphyrin monomers. Among them, P–Fe₁Co₁-TEPP exhibited the best OER performance in 1.0 M KOH, delivering an overpotential of 256 mV at 10 mA cm⁻², a Tafel slope of 90.6 mV dec⁻¹, and excellent stability over 24 h. Density functional theory calculations revealed that Fe/Co dual-metal sites optimize the adsorption of oxygen-containing intermediates and lower the energy barrier of the rate-determining ∗OOH formation step. This work provides a molecular strategy for developing efficient OER electrocatalysts for sustainable hydrogen production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156112"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502716","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":"In situ fabrication of (Co, Fe)Se2 decorated with CoFe-layered double hydroxide: A proficient heterostructure for supercapacitor electrode and electrocatalytic water splitting","authors":"Mamoona Anwar,&nbsp;Mirza Mahmood Baig,&nbsp;Khadija Chaudhary,&nbsp;Khadijah Mohammedsaleh Katubi,&nbsp;Muhammad Farooq Warsi,&nbsp;Muhammad Shahid,&nbsp;M.S. Al-Buriahi,&nbsp;Seung Goo Lee,&nbsp;Imran Shakir","doi":"10.1016/j.ijhydene.2026.156087","DOIUrl":"10.1016/j.ijhydene.2026.156087","url":null,"abstract":"<div><div>Engineering innovative heterostructures to deliver efficient performance in integrated energy storage and conversion applications is drawing substantial interest. Herein, a multifunctional CoFeSe₂/CoFe-LDH heterostructure, along with its counterparts (FeSe₂, CoFeSe_2, and CoFe-LDH), is prepared using a hydrothermal approach. The incorporation of CoFeSe₂ rods into flower-like hierarchical CoFe-LDH microstructures considerably improved the electroactive surface area and charge-transfer kinetics. The synergistic coupling of bimetallic diselenide and layered double hydroxide into a CoFeSe₂/CoFe-LDH heterostructure enabled a wider potential window and improved ion/electron transport. It preserved structural integrity during electrochemical cycling, resulting in enhanced energy storage metrics and water-splitting activity. As a supercapacitor electrode, CoFeSe₂/CoFe-LDH displayed superior electrochemical activity as compared to individual components, with a specific capacitance (C_sp) of 1071 F g⁻¹ at a current density of 1 A g⁻¹ and 95.7% coulombic efficiency. Furthermore, CoFeSe₂/CoFe-LDH achieved an outstanding energy density (E_d) of 107.5 Wh kg⁻¹ at a power density (P_d) of 425 W kg⁻¹. Meanwhile, for water-splitting, CoFeSe₂/CoFe-LDH needed a low overpotential (ƞ) of 214 mV (Tafel slope = 46 mV dec⁻¹) for OER and 73 mV (Tafel slope = 89 mV dec⁻¹) for HER, to achieve an anodic and cathodic current density of 10 mA cm⁻². Overall, designing a heterostructure comprising a transition-metal diselenide and a layered double hydroxide offers a promising strategy to develop chemo-mechanically robust multifunctional electrodes for supercapacitors and overall water-splitting.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156087"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529597","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}