Pub Date : 2026-03-13Epub Date: 2026-02-12DOI: 10.1016/j.ijhydene.2026.153682
Matthias Ranz , Elisabeth Verwüster , Benedikt Karan , Florian de Pauli , Bianca Grabner , Bernhard Schweighofer , Hannes Wegleiter , Alexander Trattner
Anion exchange membrane water electrolysis (AEMWE) offers a promising route for efficient hydrogen production, yet data on hydrogen crossover under elevated differential pressures remain scarce. This study investigates hydrogen crossover through seven state-of-the-art AEMs under non-operando conditions, replicating realistic temperature, pressure, mass flow, and contact pressure. A dedicated setup enables quantification of hydrogen transport through fully hydrated membranes without applying current or potential, thereby isolating diffusion and convection from electro-osmotic drag, supersaturation, and recombination effects. Measurements between 10 and 70 bar are complemented by a physical model describing diffusion and convective transport in the water-filled channels and within the polymer matrix. Results show a significant polymer-phase contribution to overall crossover and a clear trade-off between hydrogen permeability and area-specific resistance of the membrane. The presented data and model represent a lower limit for hydrogen crossover in current AEMs, providing essential guidance for membrane design and safe operation of pressurized AEM electrolyzers.
{"title":"Under pressure: Hydrogen crossover in anion exchange membrane water electrolysis – experimental and modeling study","authors":"Matthias Ranz , Elisabeth Verwüster , Benedikt Karan , Florian de Pauli , Bianca Grabner , Bernhard Schweighofer , Hannes Wegleiter , Alexander Trattner","doi":"10.1016/j.ijhydene.2026.153682","DOIUrl":"10.1016/j.ijhydene.2026.153682","url":null,"abstract":"<div><div>Anion exchange membrane water electrolysis (AEMWE) offers a promising route for efficient hydrogen production, yet data on hydrogen crossover under elevated differential pressures remain scarce. This study investigates hydrogen crossover through seven state-of-the-art AEMs under non-operando conditions, replicating realistic temperature, pressure, mass flow, and contact pressure. A dedicated setup enables quantification of hydrogen transport through fully hydrated membranes without applying current or potential, thereby isolating diffusion and convection from electro-osmotic drag, supersaturation, and recombination effects. Measurements between 10 and 70 bar are complemented by a physical model describing diffusion and convective transport in the water-filled channels and within the polymer matrix. Results show a significant polymer-phase contribution to overall crossover and a clear trade-off between hydrogen permeability and area-specific resistance of the membrane. The presented data and model represent a lower limit for hydrogen crossover in current AEMs, providing essential guidance for membrane design and safe operation of pressurized AEM electrolyzers.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153682"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186981","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}
Pub Date : 2026-03-13Epub Date: 2026-02-12DOI: 10.1016/j.ijhydene.2026.153932
Ru Wang , Hanlin Chen , Quan Zong , Lijing Yan , Tingli Ma , Qiaoling Kang
The development of efficient and low-cost electrocatalysts for water-splitting is vital for advancing hydrogen-based renewable energy solutions. Herein, the synthesis of a non-noble metal NiFeCoMnCu high-entropy alloy (HEA) is reported using a straightforward citric acid-assisted chelation route, resulting in a material with a single-phase fcc structure. Owing to the high-entropy effect, the NiFeCoMnCu HEA demonstrates exceptional bifunctional electrocatalytic performance, achieving low overpotentials of 240 mV for the oxygen evolution reaction (OER) and 165 mV for the hydrogen evolution reaction (HER) at 10 mA cm−2 in 1.0 M KOH. A systematic comparison with catalysts of increasing metallic components reveals that the performance enhancement stems from synergistic electronic interactions among the constituent metals. In addition, the NiFeCoMnCu HEA drives overall water splitting at a cell voltage of 1.53 V for 10 mA cm−2, superior to the noble-metal benchmark system Pt/C || RuO2 (1.62 V). Moreover, the NiFeCoMnCu HEA electrocatalyst maintains excellent activity and stability in seawater splitting, sustaining 10 mA cm−2 at 1.8 V for 10 h. This work establishes a green and scalable route for designing HEA electrocatalysts toward sustainable energy conversion.
开发高效、低成本的水分解电催化剂对于推进氢基可再生能源解决方案至关重要。本文采用柠檬酸辅助螯合的方法合成了非贵金属NiFeCoMnCu高熵合金（HEA），得到了具有单相fcc结构的材料。由于高熵效应，NiFeCoMnCu HEA表现出优异的双功能电催化性能，在10 mA cm−2和1.0 M KOH条件下，析氧反应（OER）和析氢反应（HER）的过电位分别为240 mV和165 mV。与添加金属组分催化剂的系统比较表明，催化剂性能的增强源于各组分金属之间的协同电子相互作用。此外，NiFeCoMnCu HEA在10ma cm - 2的电池电压为1.53 V下驱动整体水分解，优于贵金属基准系统Pt/C || RuO2 （1.62 V）。此外，NiFeCoMnCu HEA电催化剂在海水分解中保持了优异的活性和稳定性，在1.8 V下维持10 mA cm - 2 10小时。该工作为设计HEA电催化剂实现可持续的能量转换建立了绿色和可扩展的途径。
{"title":"Collaborative multi-component optimization strategy guided NiFeCoMnCu bifunctional electrocatalyst for overall water splitting","authors":"Ru Wang , Hanlin Chen , Quan Zong , Lijing Yan , Tingli Ma , Qiaoling Kang","doi":"10.1016/j.ijhydene.2026.153932","DOIUrl":"10.1016/j.ijhydene.2026.153932","url":null,"abstract":"<div><div>The development of efficient and low-cost electrocatalysts for water-splitting is vital for advancing hydrogen-based renewable energy solutions. Herein, the synthesis of a non-noble metal NiFeCoMnCu high-entropy alloy (HEA) is reported using a straightforward citric acid-assisted chelation route, resulting in a material with a single-phase fcc structure. Owing to the high-entropy effect, the NiFeCoMnCu HEA demonstrates exceptional bifunctional electrocatalytic performance, achieving low overpotentials of 240 mV for the oxygen evolution reaction (OER) and 165 mV for the hydrogen evolution reaction (HER) at 10 mA cm<sup>−2</sup> in 1.0 M KOH. A systematic comparison with catalysts of increasing metallic components reveals that the performance enhancement stems from synergistic electronic interactions among the constituent metals. In addition, the NiFeCoMnCu HEA drives overall water splitting at a cell voltage of 1.53 V for 10 mA cm<sup>−2</sup>, superior to the noble-metal benchmark system Pt/C || RuO<sub>2</sub> (1.62 V). Moreover, the NiFeCoMnCu HEA electrocatalyst maintains excellent activity and stability in seawater splitting, sustaining 10 mA cm<sup>−2</sup> at 1.8 V for 10 h. This work establishes a green and scalable route for designing HEA electrocatalysts toward sustainable energy conversion.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153932"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186995","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}
Pub Date : 2026-03-13Epub Date: 2026-02-11DOI: 10.1016/j.ijhydene.2026.153973
Ziyu Li, Mei Li, Xianglong Lyu, Meijuan Ding, Jingyi Nie, Chaoqi Ding, Aohui Ping, Zhiliang Jin
The performance of photocatalytic hydrogen production is largely constrained by the charge transfer efficiency on the surface of the catalyst. The main challenge faced by ZnCdS (ZCS) in practical applications is the low efficiency of light-generated charge separation and slow migration. This study utilized sunflower stalk as a carbon source and ammonium molybdate tetrahydrate as a molybdenum source to synthesize Mo2C without the need for reducing gases in a one-step process. Mo2C and ZCS were integrated using a solvent evaporation technique to synthesize an ohmic junction catalyst (MCZ6), which was applied in photocatalytic hydrogen evolution. The results indicated that within 5 h, the hydrogen evolution of the MCZ6 complex was 120.3 mmol g−1, which was 5.98 times higher than that of the original ZCS (20.3 mmol g−1). It is worth noting that when evaluated in coal chemical wastewater, the hydrogen production capacity of the catalyst remained at 15 μmol, which pave the way for its future use in practical settings. Through photoelectrochemical experiments and Kelvin probe force microscopy analysis, the surface charge transfer efficiency of ZCS increased from 3.12% to 11.89%, and the built-in electric field strength of MCZ6 reached 50.3 mV. Combined with density functional theory, the charge distribution in MCZ6 further confirms the efficient charge transfer mechanism in the ohmic junction. This study provides novel insights and theoretical foundations for the green synthesis of Mo2C and the enhancement of photocatalytic hydrogen production performance through the regulation of surface charge transfer efficiency.
{"title":"Boosting photocatalytic hydrogen production: Strong built-in electric field in biomass-derived Mo2C–ZnCdS ohmic junction synergistically promotes charge separation","authors":"Ziyu Li, Mei Li, Xianglong Lyu, Meijuan Ding, Jingyi Nie, Chaoqi Ding, Aohui Ping, Zhiliang Jin","doi":"10.1016/j.ijhydene.2026.153973","DOIUrl":"10.1016/j.ijhydene.2026.153973","url":null,"abstract":"<div><div>The performance of photocatalytic hydrogen production is largely constrained by the charge transfer efficiency on the surface of the catalyst. The main challenge faced by ZnCdS (ZCS) in practical applications is the low efficiency of light-generated charge separation and slow migration. This study utilized sunflower stalk as a carbon source and ammonium molybdate tetrahydrate as a molybdenum source to synthesize Mo<sub>2</sub>C without the need for reducing gases in a one-step process. Mo<sub>2</sub>C and ZCS were integrated using a solvent evaporation technique to synthesize an ohmic junction catalyst (MCZ6), which was applied in photocatalytic hydrogen evolution. The results indicated that within 5 h, the hydrogen evolution of the MCZ6 complex was 120.3 mmol g<sup>−1</sup>, which was 5.98 times higher than that of the original ZCS (20.3 mmol g<sup>−1</sup>). It is worth noting that when evaluated in coal chemical wastewater, the hydrogen production capacity of the catalyst remained at 15 μmol, which pave the way for its future use in practical settings. Through photoelectrochemical experiments and Kelvin probe force microscopy analysis, the surface charge transfer efficiency of ZCS increased from 3.12% to 11.89%, and the built-in electric field strength of MCZ6 reached 50.3 mV. Combined with density functional theory, the charge distribution in MCZ6 further confirms the efficient charge transfer mechanism in the ohmic junction. This study provides novel insights and theoretical foundations for the green synthesis of Mo<sub>2</sub>C and the enhancement of photocatalytic hydrogen production performance through the regulation of surface charge transfer efficiency.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153973"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187053","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}
Metal-organic frameworks (MOFs) are promising electrocatalysts for the oxygen evolution reaction (OER), yet their intrinsic catalytic performance is severely limited by poor charge transport, structural instability, and inherent hydrophobicity, which impedes catalyst-electrolyte interactions. Herein, the crystallization of cobalt-based MOF (Co-MOF) directly on stacking networks of Co2+-coordinated indium tin oxide (ITO) nanoparticles has been engineered, forming robust, binder-free hybrid electrodes. Via designed potential cycling, the board-like Co-MOF crystals reconstruct into hydrophilic petal-like Co(OH)2 intermediate phases still bonded on nanoparticles. With rich active Co3+/Co4+ redox centers and thus significantly enhanced interfacial charge transport, the overpotential reduces from 404 to 344 mV, while the Tafel slope decreases from 116 to 106 mV dec−1. Moreover, the post-crystallization substitutional doping induces partial nanoparticle coalescence, therefore improving the conductivity of nanoparticle networks and resulting in a Tafel slope of 80 mV dec−1 with overpotential around 314 mV. The optimized Co-MOF/doped-ITO nanoparticle hybrid electrode maintains 95% of its activity after 72 h of continuous operation, confirming excellent durability. This work unveils a mechanistic evolution of active intermediate phases of MOF catalysts, which are extraordinarily stabilized via the covalent bonding with conductive nanoparticle networks, offering a new viable route toward stable high-performance OER catalysis.
{"title":"Binder-free stabilization of transient Co(OH)2 active phases on conductive nanoparticles for durable and kinetically accelerated electrocatalytic oxygen evolution","authors":"Brindha Devi Sankar, Yong-Cing Chen, Jin-Rui Lin, Yi Hsueh Chen, Jrjeng Ruan","doi":"10.1016/j.ijhydene.2026.153933","DOIUrl":"10.1016/j.ijhydene.2026.153933","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) are promising electrocatalysts for the oxygen evolution reaction (OER), yet their intrinsic catalytic performance is severely limited by poor charge transport, structural instability, and inherent hydrophobicity, which impedes catalyst-electrolyte interactions. Herein, the crystallization of cobalt-based MOF (Co-MOF) directly on stacking networks of Co<sup>2+</sup>-coordinated indium tin oxide (ITO) nanoparticles has been engineered, forming robust, binder-free hybrid electrodes. Via designed potential cycling, the board-like Co-MOF crystals reconstruct into hydrophilic petal-like Co(OH)<sub>2</sub> intermediate phases still bonded on nanoparticles. With rich active Co<sup>3+</sup>/Co<sup>4+</sup> redox centers and thus significantly enhanced interfacial charge transport, the overpotential reduces from 404 to 344 mV, while the Tafel slope decreases from 116 to 106 mV dec<sup>−1</sup>. Moreover, the post-crystallization substitutional doping induces partial nanoparticle coalescence, therefore improving the conductivity of nanoparticle networks and resulting in a Tafel slope of 80 mV dec<sup>−1</sup> with overpotential around 314 mV. The optimized Co-MOF/doped-ITO nanoparticle hybrid electrode maintains 95% of its activity after 72 h of continuous operation, confirming excellent durability. This work unveils a mechanistic evolution of active intermediate phases of MOF catalysts, which are extraordinarily stabilized via the covalent bonding with conductive nanoparticle networks, offering a new viable route toward stable high-performance OER catalysis.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153933"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187208","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}
Pub Date : 2026-03-13Epub Date: 2026-02-13DOI: 10.1016/j.ijhydene.2026.153765
Waqar Ali Khan , Ashkan Pakseresht , Caslon Chua , Ali Yavari
Global energy systems remain dominated by fossil fuels, accounting for over 80% of primary supply and driving severe climate impacts through greenhouse gas emissions. The transition to renewable sources such as solar and wind is hindered by their intermittency — daily generation can fluctuate by more than 70%, with strong seasonal variability — leading to continued reliance on fossil-based backup generation. Achieving near-complete energy autonomy while maintaining economic viability therefore remains a major challenge. This study evaluates the techno-economic feasibility of hybrid solar–wind–battery–hydrogen systems across nine configurations using a Rule-Based Heuristic Dispatch Algorithm (RB-HDA). System performance was assessed through four key metrics: demand met, fossil-fuel reliance, and economic feasibility via Levelized Cost of Energy (LCOE) and Levelized Cost of Hydrogen (LCOH). Hybrid solar–wind–battery systems met 99.89% of demand with an LCOE of 0.39–2.32 AUD/kWh, but remained limited by seasonal deficits. Integrating hydrogen storage improved resilience to 99.999% demand met with only one fossil-fuel backup hour annually, achieving an LCOH of 0.04 AUD/kg while maintaining an LCOE of 2.32 AUD/kWh. The results demonstrate hydrogen’s role as a pivotal enabler of long-term energy autonomy and a scalable, high-reliability alternative to fossil-based generation.
{"title":"Energy resilience and decarbonization via hybrid renewable energy systems: A techno-economic study","authors":"Waqar Ali Khan , Ashkan Pakseresht , Caslon Chua , Ali Yavari","doi":"10.1016/j.ijhydene.2026.153765","DOIUrl":"10.1016/j.ijhydene.2026.153765","url":null,"abstract":"<div><div>Global energy systems remain dominated by fossil fuels, accounting for over 80% of primary supply and driving severe climate impacts through greenhouse gas emissions. The transition to renewable sources such as solar and wind is hindered by their intermittency — daily generation can fluctuate by more than 70%, with strong seasonal variability — leading to continued reliance on fossil-based backup generation. Achieving near-complete energy autonomy while maintaining economic viability therefore remains a major challenge. This study evaluates the techno-economic feasibility of hybrid solar–wind–battery–hydrogen systems across nine configurations using a Rule-Based Heuristic Dispatch Algorithm (RB-HDA). System performance was assessed through four key metrics: demand met, fossil-fuel reliance, and economic feasibility via Levelized Cost of Energy (LCOE) and Levelized Cost of Hydrogen (LCOH). Hybrid solar–wind–battery systems met 99.89% of demand with an LCOE of 0.39–2.32 AUD/kWh, but remained limited by seasonal deficits. Integrating hydrogen storage improved resilience to 99.999% demand met with only one fossil-fuel backup hour annually, achieving an LCOH of 0.04 AUD/kg while maintaining an LCOE of 2.32 AUD/kWh. The results demonstrate hydrogen’s role as a pivotal enabler of long-term energy autonomy and a scalable, high-reliability alternative to fossil-based generation.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153765"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187207","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}
Pub Date : 2026-03-13Epub Date: 2026-02-11DOI: 10.1016/j.ijhydene.2026.153945
Yuanhang Wang , Meijia Liu , Tengyu Zhang , Fangong Kong , Jiaguang Zheng
Owing to the high hydrogen storage capacity (7.6 wt%), abundant resources, and environmental friendliness, magnesium hydride (MgH2) has become one of the most widely studied solid-state hydrogen storage materials. In this study, we prepare a composite of MgH2–NaBH4, and then catalytically modify this MgH2–NaBH4 composite by using cobalt fluoride supported on biomass-derived porous carbon (CoF2@PC). The doped composite exhibits excellent hydrogen storage capacity. It desorbs 5.04 wt% H2 within 10 min at 300 °C and 5.06 wt% H2 within 2 min at 350 °C. The improvement in hydrogen absorption kinetics is reflected in the rapid absorption of 5.27 wt% H2 within 1 min at 200 °C. With a notable reduction to 92.82 kJ/mol, the dehydrogenation activation energy (Ea) is 20.6% lower than that of the pure MgH2–NaBH4 composite. Mechanistic analysis indicates that Mg2Co/Mg2CoH5 are in situ formed during the hydrogen absorption and desorption processes, acting as a “hydrogen pump” to lower the energy barrier for hydrogen atom transportation, thus accelerating both re/dehydrogenation. Furthermore, the in situ-generated MgF2 and NaF can serve as electron-transfer media, accelerating hydrogen diffusion. After hydrogen desorption, the generated MgB2 exists as a stable compound, which catalyzes subsequent Mg/MgH2 hydrogenation and dehydrogenation. Additionally, the porous carbon support promotes the high dispersion of the catalyst, thereby contributing to improved performance. This study provides new insights into improving magnesium-based composite hydrogen storage materials through the synergistic catalysis of biomass-based carbon materials and transition metal fluorides.
{"title":"Synergistic catalysis of biomass-derived porous carbon decorated with cobalt fluoride on the hydrogen storage properties of MgH2–NaBH4 composite","authors":"Yuanhang Wang , Meijia Liu , Tengyu Zhang , Fangong Kong , Jiaguang Zheng","doi":"10.1016/j.ijhydene.2026.153945","DOIUrl":"10.1016/j.ijhydene.2026.153945","url":null,"abstract":"<div><div>Owing to the high hydrogen storage capacity (7.6 wt%), abundant resources, and environmental friendliness, magnesium hydride (MgH<sub>2</sub>) has become one of the most widely studied solid-state hydrogen storage materials. In this study, we prepare a composite of MgH<sub>2</sub>–NaBH<sub>4</sub>, and then catalytically modify this MgH<sub>2</sub>–NaBH<sub>4</sub> composite by using cobalt fluoride supported on biomass-derived porous carbon (CoF<sub>2</sub>@PC). The doped composite exhibits excellent hydrogen storage capacity. It desorbs 5.04 wt% H<sub>2</sub> within 10 min at 300 °C and 5.06 wt% H<sub>2</sub> within 2 min at 350 °C. The improvement in hydrogen absorption kinetics is reflected in the rapid absorption of 5.27 wt% H<sub>2</sub> within 1 min at 200 °C. With a notable reduction to 92.82 kJ/mol, the dehydrogenation activation energy (Ea) is 20.6% lower than that of the pure MgH<sub>2</sub>–NaBH<sub>4</sub> composite. Mechanistic analysis indicates that Mg<sub>2</sub>Co/Mg<sub>2</sub>CoH<sub>5</sub> are in situ formed during the hydrogen absorption and desorption processes, acting as a “hydrogen pump” to lower the energy barrier for hydrogen atom transportation, thus accelerating both re/dehydrogenation. Furthermore, the in situ-generated MgF<sub>2</sub> and NaF can serve as electron-transfer media, accelerating hydrogen diffusion. After hydrogen desorption, the generated MgB<sub>2</sub> exists as a stable compound, which catalyzes subsequent Mg/MgH<sub>2</sub> hydrogenation and dehydrogenation. Additionally, the porous carbon support promotes the high dispersion of the catalyst, thereby contributing to improved performance. This study provides new insights into improving magnesium-based composite hydrogen storage materials through the synergistic catalysis of biomass-based carbon materials and transition metal fluorides.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153945"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147520","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}
Pub Date : 2026-03-13Epub Date: 2026-02-13DOI: 10.1016/j.ijhydene.2026.153854
Yasin Furkan Gorgulu , Selcuk Ekici , T. Hikmet Karakoc
This study presents a numerical investigation of a 50–50 M blend of ammonia and Jet-A fuel under varying cruise flight conditions. Reactive flow simulations were performed at six flight levels FL300 to FL390 using a turbulence-coupled combustion model with an air excess ratio of 2.65. Temperature contours revealed peak flame temperatures decreased slightly from approximately 1920 K at FL300 to 1910 K at FL390. Ammonia was completely consumed near the flame front, while Jet-A exhibited extended oxidation profiles at higher altitudes. The resulting CO2 mass fraction remained below 0.10 across all cases, indicating roughly 9% lower carbon dioxide emissions compared to conventional Jet-A combustion at equivalent heat release. Nitric oxide formation was confined to post-flame regions, with NO mass fractions ranging from 5.0 × 10−7 at FL300 to 3.8 × 10−7 at FL390. Total NOx emissions remained minimal, consistently below 1.0 × 10−8. Velocity profiles showed axial acceleration with increasing altitude, reaching up to 200 m s−1 at FL390. Turbulent kinetic energy remained moderate under 5 m2 s−2, ensuring sufficient mixing and flame stabilization. This study reveals that flame length increases and combustion efficiency decreases with altitude, highlighting operational risks associated with high-altitude ammonia co-firing in aviation gas turbines. Nonetheless, the results demonstrate that molar ammonia–Jet-A blending enables stable and low-emission combustion across typical cruise conditions, supporting its feasibility as a transitional strategy for low-carbon aviation.
{"title":"Numerical investigation of altitude-dependent combustion behavior in a gas turbine fueled by a molar 50–50 ammonia–Jet-A blend","authors":"Yasin Furkan Gorgulu , Selcuk Ekici , T. Hikmet Karakoc","doi":"10.1016/j.ijhydene.2026.153854","DOIUrl":"10.1016/j.ijhydene.2026.153854","url":null,"abstract":"<div><div>This study presents a numerical investigation of a 50–50 M blend of ammonia and Jet-A fuel under varying cruise flight conditions. Reactive flow simulations were performed at six flight levels FL300 to FL390 using a turbulence-coupled combustion model with an air excess ratio of 2.65. Temperature contours revealed peak flame temperatures decreased slightly from approximately 1920 K at FL300 to 1910 K at FL390. Ammonia was completely consumed near the flame front, while Jet-A exhibited extended oxidation profiles at higher altitudes. The resulting CO<sub>2</sub> mass fraction remained below 0.10 across all cases, indicating roughly 9% lower carbon dioxide emissions compared to conventional Jet-A combustion at equivalent heat release. Nitric oxide formation was confined to post-flame regions, with NO mass fractions ranging from 5.0 × 10<sup>−7</sup> at FL300 to 3.8 × 10<sup>−7</sup> at FL390. Total NO<sub>x</sub> emissions remained minimal, consistently below 1.0 × 10<sup>−8</sup>. Velocity profiles showed axial acceleration with increasing altitude, reaching up to 200 m s<sup>−1</sup> at FL390. Turbulent kinetic energy remained moderate under 5 m<sup>2</sup> s<sup>−2</sup>, ensuring sufficient mixing and flame stabilization. This study reveals that flame length increases and combustion efficiency decreases with altitude, highlighting operational risks associated with high-altitude ammonia co-firing in aviation gas turbines. Nonetheless, the results demonstrate that molar ammonia–Jet-A blending enables stable and low-emission combustion across typical cruise conditions, supporting its feasibility as a transitional strategy for low-carbon aviation.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153854"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187213","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}
Pub Date : 2026-03-13Epub Date: 2026-02-13DOI: 10.1016/j.ijhydene.2026.153983
Utsav P. Prajapati , Niyati Gajjar , Suresh V. Chaudhary , Nikhil M. Solanki , Sanjeev K. Gupta , P. N. Gajjar
Identifying highly effective and eco-friendly photocatalysts for water splitting is crucial for the sustainable utilization of abundant solar energy. Despite significant advancements, this remains a major challenge. In this study, we explore TlSI and TlSeI Janus monolayers as potential photocatalysts for water splitting, addressing the growing demand for environmentally friendly energy solutions. Using density functional theory (DFT), we investigated the structural and electronic properties of TlXI (X = S, Se) materials. The results indicate that TlXI monolayers exhibit semiconductor behavior, positioning them as promising candidates for photocatalytic applications. Our optical absorption analysis further shows strong absorption in the visible region, suggesting their suitability for solar-driven processes. Additionally, we examined the band edge alignment, which facilitates efficient water redox reactions, further supporting their potential for use in photocatalytic water splitting. Following the examination of stability, electronic band structure, optical absorption, and band edge alignment, our study extends to investigating the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) mechanisms, both of which are critical for water splitting applications. Notably, the TlSeI monolayer exhibits a favorable overpotential of 0.80 V for the OER, which is considered excellent given the inherent complexity of this mechanism.
{"title":"Harnessing the photocatalytic potential of Janus TlXI (X = S, Se) monolayers for hydrogen and oxygen evolution in solar-driven water splitting","authors":"Utsav P. Prajapati , Niyati Gajjar , Suresh V. Chaudhary , Nikhil M. Solanki , Sanjeev K. Gupta , P. N. Gajjar","doi":"10.1016/j.ijhydene.2026.153983","DOIUrl":"10.1016/j.ijhydene.2026.153983","url":null,"abstract":"<div><div>Identifying highly effective and eco-friendly photocatalysts for water splitting is crucial for the sustainable utilization of abundant solar energy. Despite significant advancements, this remains a major challenge. In this study, we explore TlSI and TlSeI <em>Janus</em> monolayers as potential photocatalysts for water splitting, addressing the growing demand for environmentally friendly energy solutions. Using density functional theory (DFT), we investigated the structural and electronic properties of TlXI (X = S, Se) materials. The results indicate that TlXI monolayers exhibit semiconductor behavior, positioning them as promising candidates for photocatalytic applications. Our optical absorption analysis further shows strong absorption in the visible region, suggesting their suitability for solar-driven processes. Additionally, we examined the band edge alignment, which facilitates efficient water redox reactions, further supporting their potential for use in photocatalytic water splitting. Following the examination of stability, electronic band structure, optical absorption, and band edge alignment, our study extends to investigating the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) mechanisms, both of which are critical for water splitting applications. Notably, the TlSeI monolayer exhibits a favorable overpotential of 0.80 V for the OER, which is considered excellent given the inherent complexity of this mechanism.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153983"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146187204","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}
Pub Date : 2026-03-13Epub Date: 2026-02-13DOI: 10.1016/j.ijhydene.2026.153965
Theodoros Papalas , Athanasios Arampatzis , Andy N. Antzaras , Angeliki A. Lemonidou
Hydrogen stands at the forefront of the energy transition, yet its conventional carbon- and energy-intensive natural gas reforming production highlights the need for more sustainable solutions. This study presents a novel intensified concept that integrates steam methane reforming with calcium looping for in situ CO2 capture and high-purity hydrogen production at a low reforming temperature (600 °C), along with chemical looping of nickel oxide to provide internal heat during regeneration of the CO2 capture material. Setting the levelized cost of hydrogen production over a 20-year lifetime as a comparative key metric, reveals that the intensified process outperforms conventional natural gas reforming, costing $3.61 per kg versus $3.77 per kg. Additionally, the intensified process attains ∼85% reduction in carbon emissions by eliminating fossil fuel combustion to drive reforming via the exothermic carbonation reaction and separating the by-product CO2 into a high-purity stream. Consequently, a generalized carbon tax of 120$ per tonne of emitted CO2 could raise costs more than 35% for conventional reforming, while its impact on the intensified process is significantly lower. Overall, the demonstrated feasibility of the novel reforming technology establishes a scalable, cost-competitive, and low-carbon pathway for hydrogen production, while emphasizing the transformative potential of process intensification strategies.
{"title":"Intensification of natural gas reforming: Feasibility assessment of a novel technology for blue hydrogen production","authors":"Theodoros Papalas , Athanasios Arampatzis , Andy N. Antzaras , Angeliki A. Lemonidou","doi":"10.1016/j.ijhydene.2026.153965","DOIUrl":"10.1016/j.ijhydene.2026.153965","url":null,"abstract":"<div><div>Hydrogen stands at the forefront of the energy transition, yet its conventional carbon- and energy-intensive natural gas reforming production highlights the need for more sustainable solutions. This study presents a novel intensified concept that integrates steam methane reforming with calcium looping for <em>in situ</em> CO<sub>2</sub> capture and high-purity hydrogen production at a low reforming temperature (600 °C), along with chemical looping of nickel oxide to provide internal heat during regeneration of the CO<sub>2</sub> capture material. Setting the levelized cost of hydrogen production over a 20-year lifetime as a comparative key metric, reveals that the intensified process outperforms conventional natural gas reforming, costing $3.61 per kg versus $3.77 per kg. Additionally, the intensified process attains ∼85% reduction in carbon emissions by eliminating fossil fuel combustion to drive reforming <em>via</em> the exothermic carbonation reaction and separating the by-product CO<sub>2</sub> into a high-purity stream. Consequently, a generalized carbon tax of 120$ per tonne of emitted CO<sub>2</sub> could raise costs more than 35% for conventional reforming, while its impact on the intensified process is significantly lower. Overall, the demonstrated feasibility of the novel reforming technology establishes a scalable, cost-competitive, and low-carbon pathway for hydrogen production, while emphasizing the transformative potential of process intensification strategies.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153965"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186894","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}
Hydrogen is emerging as a practical low-carbon fuel for residential heating, offering decarbonization benefits but raising safety concerns due to its high diffusivity and wide flammability range. This study develops a data-driven framework that classifies societal risk for hydrogen appliance deployment across Canadian residential areas. A Light Gradient Boosting Machine model is trained on 30,000 verified fire incidents in Alberta, enriched with demographic, infrastructural, and geospatial features. The framework achieves strong predictive performance, with an accuracy of 0.80 and a Receiver Operating Characteristics–Area Under Curve (ROC-AUC) of 0.91. Key predictors such as occupancy, asset value, and building height explain regional variations in hydrogen-related risk. The resulting spatial risk maps identify communities requiring retrofits or additional safeguards and provide regulators/planners with hydrogen-specific zoning tools to support safe and sustainable energy transition planning. While demonstrated in Alberta, the framework is adaptable to other provinces and international contexts.
{"title":"Beyond quantitative risk assessment: A spatial machine learning framework for risk-informed hydrogen appliance deployment","authors":"Kanishkar Venkatesan, Anirudha Joshi, Fereshteh Sattari, Lianne Lefsrud, Mohd Adnan Khan","doi":"10.1016/j.ijhydene.2026.153950","DOIUrl":"10.1016/j.ijhydene.2026.153950","url":null,"abstract":"<div><div>Hydrogen is emerging as a practical low-carbon fuel for residential heating, offering decarbonization benefits but raising safety concerns due to its high diffusivity and wide flammability range. This study develops a data-driven framework that classifies societal risk for hydrogen appliance deployment across Canadian residential areas. A Light Gradient Boosting Machine model is trained on 30,000 verified fire incidents in Alberta, enriched with demographic, infrastructural, and geospatial features. The framework achieves strong predictive performance, with an accuracy of 0.80 and a Receiver Operating Characteristics–Area Under Curve (ROC-AUC) of 0.91. Key predictors such as occupancy, asset value, and building height explain regional variations in hydrogen-related risk. The resulting spatial risk maps identify communities requiring retrofits or additional safeguards and provide regulators/planners with hydrogen-specific zoning tools to support safe and sustainable energy transition planning. While demonstrated in Alberta, the framework is adaptable to other provinces and international contexts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153950"},"PeriodicalIF":8.3,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186895","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}
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