Pub Date : 2026-01-10DOI: 10.1016/j.ijhydene.2026.153445
Amirreza Kaabinejadian , Artur Pozarlik , Canan Acar
This study presents a comprehensive techno-economic-environmental analysis of integrating hydrogen into Dutch heating networks to enhance seasonal storage and reduce CO2 emissions. A hybrid solar–wind–hydrogen system is proposed, comprising photovoltaic panels, wind turbines, a battery energy storage system, a proton exchange membrane electrolyzer, hydrogen compression and storage units, a proton exchange membrane fuel cell, and a water-to-water heat pump. An adaptive peak-shaving controller is developed to govern the battery energy storage system, dynamically limiting grid import peaks while directing surplus renewable electricity to hydrogen production; its application results in a 72 % reduction in the highest observed peak. The system is tested for the city of Enschede, where the controller enables the battery to support peak shaving and coordinates the routing of excess renewable electricity toward green hydrogen generation, which is stored and later used in cold spells. A deep learning-assisted optimization framework, combined with a genetic algorithm, significantly reduces computational costs while accurately predicting system performance. The results show that hydrogen enables seasonal storage, achieving an exergy efficiency of 35.04 %, a total cost rate of 4.84 €/h (5.24 $/h), annual CO2 emissions of 63.64 tons, a levelized cost of hydrogen of 6.48 €/kg, and a 42.21 % share of the heat supply mix during cold spells.
{"title":"Deep learning-enhanced techno-economic optimization of hybrid wind-solar-hydrogen system for Dutch heating networks","authors":"Amirreza Kaabinejadian , Artur Pozarlik , Canan Acar","doi":"10.1016/j.ijhydene.2026.153445","DOIUrl":"10.1016/j.ijhydene.2026.153445","url":null,"abstract":"<div><div>This study presents a comprehensive techno-economic-environmental analysis of integrating hydrogen into Dutch heating networks to enhance seasonal storage and reduce CO<sub>2</sub> emissions. A hybrid solar–wind–hydrogen system is proposed, comprising photovoltaic panels, wind turbines, a battery energy storage system, a proton exchange membrane electrolyzer, hydrogen compression and storage units, a proton exchange membrane fuel cell, and a water-to-water heat pump. An adaptive peak-shaving controller is developed to govern the battery energy storage system, dynamically limiting grid import peaks while directing surplus renewable electricity to hydrogen production; its application results in a 72 % reduction in the highest observed peak. The system is tested for the city of Enschede, where the controller enables the battery to support peak shaving and coordinates the routing of excess renewable electricity toward green hydrogen generation, which is stored and later used in cold spells. A deep learning-assisted optimization framework, combined with a genetic algorithm, significantly reduces computational costs while accurately predicting system performance. The results show that hydrogen enables seasonal storage, achieving an exergy efficiency of 35.04 %, a total cost rate of 4.84 €/h (5.24 $/h), annual CO<sub>2</sub> emissions of 63.64 tons, a levelized cost of hydrogen of 6.48 €/kg, and a 42.21 % share of the heat supply mix during cold spells.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153445"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941413","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 : 2026-01-10DOI: 10.1016/j.ijhydene.2026.153379
Bo Han , Jianchuan Wang , Martin Matas , Donglan Zhang , Yuxiao Jia , Yong Du , David Holec
Graphene-based single-atom catalysts (G-SACs) have been demonstrated to have significant role in enhancing the hydrogen storage performance of MgH2. In this work, single Ti atom was incorporated in various modified graphene, including pristine graphene (G), graphene with single vacancy (SVG) and double vacancy (DVG), and N-decorated graphene with single vacancy (N3G) and double vacancy (N4G). The effects of coordination environments of the Ti-decorated G-SACs on the dehydrogenation properties of MgH2 were systematically investigated by first-principles calculations based on MgH2/G-SACs heterojunction model. It was found that the defective graphenes can prevent Ti atoms from agglomeration, whereas pristine graphene fails to do so. Structural analysis reveals that the introduction of Ti-decorated G-SACs induces elongation of Mg–H bonds and reduction of effective charge of H atoms at the interface, suggesting the Mg–H bonds tend to weaken. As for dehydrogenation thermodynamics, it was found that Ti-decorated G-SACs reduce the hydrogen desorption energies of MgH2, with the most significant effect observed for the G-SAC with N3G coordination environment (Ti@N3G). Interestingly, Ti@N3G also poses the greatest enhancement effect on the hydrogen diffusion kinetics, as revealed by ab initio molecular dynamics simulation, indicating that the MgH2/Ti@N3G interface serves as a fast diffusion channel for H atoms.
{"title":"First-principles study of Ti-decorated graphene-based single-atom catalyst for MgH2 dehydrogenation","authors":"Bo Han , Jianchuan Wang , Martin Matas , Donglan Zhang , Yuxiao Jia , Yong Du , David Holec","doi":"10.1016/j.ijhydene.2026.153379","DOIUrl":"10.1016/j.ijhydene.2026.153379","url":null,"abstract":"<div><div>Graphene-based single-atom catalysts (G-SACs) have been demonstrated to have significant role in enhancing the hydrogen storage performance of MgH<sub>2</sub>. In this work, single Ti atom was incorporated in various modified graphene, including pristine graphene (G), graphene with single vacancy (SVG) and double vacancy (DVG), and N-decorated graphene with single vacancy (N3G) and double vacancy (N4G). The effects of coordination environments of the Ti-decorated G-SACs on the dehydrogenation properties of MgH<sub>2</sub> were systematically investigated by first-principles calculations based on MgH<sub>2</sub>/G-SACs heterojunction model. It was found that the defective graphenes can prevent Ti atoms from agglomeration, whereas pristine graphene fails to do so. Structural analysis reveals that the introduction of Ti-decorated G-SACs induces elongation of Mg–H bonds and reduction of effective charge of H atoms at the interface, suggesting the Mg–H bonds tend to weaken. As for dehydrogenation thermodynamics, it was found that Ti-decorated G-SACs reduce the hydrogen desorption energies of MgH<sub>2</sub>, with the most significant effect observed for the G-SAC with N3G coordination environment (Ti@N3G). Interestingly, Ti@N3G also poses the greatest enhancement effect on the hydrogen diffusion kinetics, as revealed by <em>ab initio</em> molecular dynamics simulation, indicating that the MgH<sub>2</sub>/Ti@N3G interface serves as a fast diffusion channel for H atoms.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153379"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941523","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 : 2026-01-10DOI: 10.1016/j.ijhydene.2026.153448
Le Li , Donglei Yang , Meijun Han , Shuanqiang Liu
Selective electrocatalytic glycerol (GLY) reforming to valuable formic acid (FA) is promising yet challenged by high energy barriers in C–C cleavage and C–O coupling. Ni-based catalysts show great potential via generating active high-valence Ni sites, yet their performance remains below industrial needs. To facilitate the rational design and development of high-performance Ni-based catalysts for the GLY oxidation reaction (GOR), we present a comprehensive review of recent breakthroughs in engineering Ni-based electrocatalysts to enhance selective FA production. This review systematically examines the fundamental reaction mechanisms of GOR, the intrinsic advantages and limitations of Ni-based catalysts, and innovative strategies for optimizing their catalytic performance through structural modifications. Specifically, the review also discusses representative strategies including electronic structure engineering, defect engineering, and bimetallic synergistic effects, which collectively aim to improve both activity and selectivity for GOR. Finally, the review is concluded by outlining key challenges and future perspectives in advancing Ni-based electrocatalysts for practical GOR applications.
{"title":"Advances in engineering Ni-based catalysts for boosting selective glycerol electrooxidation to formic acid","authors":"Le Li , Donglei Yang , Meijun Han , Shuanqiang Liu","doi":"10.1016/j.ijhydene.2026.153448","DOIUrl":"10.1016/j.ijhydene.2026.153448","url":null,"abstract":"<div><div>Selective electrocatalytic glycerol (GLY) reforming to valuable formic acid (FA) is promising yet challenged by high energy barriers in C–C cleavage and C–O coupling. Ni-based catalysts show great potential via generating active high-valence Ni sites, yet their performance remains below industrial needs. To facilitate the rational design and development of high-performance Ni-based catalysts for the GLY oxidation reaction (GOR), we present a comprehensive review of recent breakthroughs in engineering Ni-based electrocatalysts to enhance selective FA production. This review systematically examines the fundamental reaction mechanisms of GOR, the intrinsic advantages and limitations of Ni-based catalysts, and innovative strategies for optimizing their catalytic performance through structural modifications. Specifically, the review also discusses representative strategies including electronic structure engineering, defect engineering, and bimetallic synergistic effects, which collectively aim to improve both activity and selectivity for GOR. Finally, the review is concluded by outlining key challenges and future perspectives in advancing Ni-based electrocatalysts for practical GOR applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153448"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941066","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 : 2026-01-10DOI: 10.1016/j.ijhydene.2026.153466
Youwang Zhu, Yong Pan, Jiahao Gao
Although LiAlH4 is a promising hydrogen storage material, its practical commercial application remains hindered by a high hydrogen desorption energy barrier and sluggish dehydrogenation dynamics. To improve its hydrogen release properties, we use the first-principles calculation to investigate the influence of transition metal (TM) doping on the hydrogen desorption behavior, electronic and optical properties of the LiAlH4(100) surface. Based on the structural feature of the [AlH4] group, four hydrogen desorption sites are considered. The results indicate that all TM-doping improve the thermodynamic stability of the system, with Co-doping exhibits the better structural stability. Importantly, all TM-doping significantly reduces the hydrogen desorption energy of the LiAlH4(100) surface. Co-doping has the lowest energy barrier at the HA site, showing the most excellent catalytic activity, indicating that Co-doping has the best effect on promoting hydrogen release. Essentially, the reduction in hydrogen desorption energy is that the TM-doping weakens the hybridization between Al-p and H-s states, which weakens the bond strength of Al–H bond in the [AlH4] group and is beneficial to hydrogen atom desorption. Furthermore, although the TM-doped LiAlH4 still maintains the ultraviolet response properties, its absorption edge shows a significant redshift phenomenon, indicating an extended optical response range. Therefore, we believe that Co-doping not only effectively reduces the hydrogen desorption barrier on the LiAlH4(100) surface but also enhances dehydrogenation dynamics, providing a possible path for promoting the commercial application of LiAlH4-based hydrogen storage material.
{"title":"Enhancing the dehydrogenation behavior of the LiAlH4(100) surface through transition metal doping (TM=Co, Ti, Pt, and Pd)","authors":"Youwang Zhu, Yong Pan, Jiahao Gao","doi":"10.1016/j.ijhydene.2026.153466","DOIUrl":"10.1016/j.ijhydene.2026.153466","url":null,"abstract":"<div><div>Although LiAlH<sub>4</sub> is a promising hydrogen storage material, its practical commercial application remains hindered by a high hydrogen desorption energy barrier and sluggish dehydrogenation dynamics. To improve its hydrogen release properties, we use the first-principles calculation to investigate the influence of transition metal (TM) doping on the hydrogen desorption behavior, electronic and optical properties of the LiAlH<sub>4</sub>(100) surface. Based on the structural feature of the [AlH<sub>4</sub>] group, four hydrogen desorption sites are considered. The results indicate that all TM-doping improve the thermodynamic stability of the system, with Co-doping exhibits the better structural stability. Importantly, all TM-doping significantly reduces the hydrogen desorption energy of the LiAlH<sub>4</sub>(100) surface. Co-doping has the lowest energy barrier at the H<sub>A</sub> site, showing the most excellent catalytic activity, indicating that Co-doping has the best effect on promoting hydrogen release. Essentially, the reduction in hydrogen desorption energy is that the TM-doping weakens the hybridization between Al-<em>p</em> and H-<em>s</em> states, which weakens the bond strength of Al–H bond in the [AlH<sub>4</sub>] group and is beneficial to hydrogen atom desorption. Furthermore, although the TM-doped LiAlH<sub>4</sub> still maintains the ultraviolet response properties, its absorption edge shows a significant redshift phenomenon, indicating an extended optical response range. Therefore, we believe that Co-doping not only effectively reduces the hydrogen desorption barrier on the LiAlH<sub>4</sub>(100) surface but also enhances dehydrogenation dynamics, providing a possible path for promoting the commercial application of LiAlH<sub>4</sub>-based hydrogen storage material.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153466"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941068","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 : 2026-01-10DOI: 10.1016/j.ijhydene.2025.153162
Nicolas Mandry , Thomas Boruciński , Friedrich-Wilhelm Speckmann , Kai Peter Birke
This paper investigates the thermodynamic efficiency of hydrogen electrolysis systems and addresses especially the frequent use of a simplified thermoneutral cell voltage value of Uth = 1.481 V, which can lead to erroneous results. The analysis shows that significant deviations occur, particularly in systems with low operating pressure, which is problematic since these technologies are pursued by several manufacturers. To close this research gap, a methodological approach to correctly calculate efficiency is presented. The paper outlines the basic principles of efficiency calculation, the derivation of a polynomial function to determine the thermoneutral cell voltage with high accuracy, and the structure of a COMSOL simulation model. This innovative approach provides a precise and user-friendly solution for simplifying and enhancing the accuracy of efficiency calculations. In addition, further influencing factors are illustrated using an example to enable a well-founded comparison of electrolysis processes. The findings are compared and discussed, providing both improved understanding of electrolysis thermodynamics and a critical perspective on common assumptions in the literature.
{"title":"Novel insights of thermodynamic efficiency calculations of electrolyser systems for hydrogen production","authors":"Nicolas Mandry , Thomas Boruciński , Friedrich-Wilhelm Speckmann , Kai Peter Birke","doi":"10.1016/j.ijhydene.2025.153162","DOIUrl":"10.1016/j.ijhydene.2025.153162","url":null,"abstract":"<div><div>This paper investigates the thermodynamic efficiency of hydrogen electrolysis systems and addresses especially the frequent use of a simplified thermoneutral cell voltage value of <em>U</em><sub><em>th</em></sub> = 1.481 V, which can lead to erroneous results. The analysis shows that significant deviations occur, particularly in systems with low operating pressure, which is problematic since these technologies are pursued by several manufacturers. To close this research gap, a methodological approach to correctly calculate efficiency is presented. The paper outlines the basic principles of efficiency calculation, the derivation of a polynomial function to determine the thermoneutral cell voltage with high accuracy, and the structure of a COMSOL simulation model. This innovative approach provides a precise and user-friendly solution for simplifying and enhancing the accuracy of efficiency calculations. In addition, further influencing factors are illustrated using an example to enable a well-founded comparison of electrolysis processes. The findings are compared and discussed, providing both improved understanding of electrolysis thermodynamics and a critical perspective on common assumptions in the literature.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153162"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941071","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 : 2026-01-10DOI: 10.1016/j.ijhydene.2026.153459
Weichao Dong , Jiawei Peng , Xiaoqiang Guo , Yingdong Li , Zixing Liu , Hexu Sun
The global shift towards sustainable energy underscores the critical role of green hydrogen. Hybrid hydrogen production systems, which integrate alkaline (AEL) and proton exchange membrane (PEMEL) electrolyzers, offer a promising solution for utilizing intermittent renewable power. However, their complex structure and dynamic operation pose significant challenges for fault detection and diagnosis. This paper proposes a Dynamic Deep Coupled Dictionary Learning (DDCDL) method to address these issues. The approach constructs a Unified Joint Dictionary to fuse multimodal AEL and PEMEL data for integrated diagnostics, a Dynamic Adaptive Dictionary updated via online learning to minimize false alarms during operational transitions, and a Deep Sparse Dictionary combined with a temporal convolutional network to enhance sensitivity to incipient faults. Validated with data from a 100 MW wind-solar hydrogen demonstration project, the method demonstrates superior detection timeliness, accuracy, and robustness across single faults, coupled faults, mode-switching faults, and early weak faults compared to established techniques. This work provides an effective technical pathway to improve the operational reliability and economic efficiency of hybrid hydrogen production systems.
{"title":"Fault detection and diagnosis of hybrid hydrogen production systems with dynamic deep coupled dictionary learning","authors":"Weichao Dong , Jiawei Peng , Xiaoqiang Guo , Yingdong Li , Zixing Liu , Hexu Sun","doi":"10.1016/j.ijhydene.2026.153459","DOIUrl":"10.1016/j.ijhydene.2026.153459","url":null,"abstract":"<div><div>The global shift towards sustainable energy underscores the critical role of green hydrogen. Hybrid hydrogen production systems, which integrate alkaline (AEL) and proton exchange membrane (PEMEL) electrolyzers, offer a promising solution for utilizing intermittent renewable power. However, their complex structure and dynamic operation pose significant challenges for fault detection and diagnosis. This paper proposes a Dynamic Deep Coupled Dictionary Learning (DDCDL) method to address these issues. The approach constructs a Unified Joint Dictionary to fuse multimodal AEL and PEMEL data for integrated diagnostics, a Dynamic Adaptive Dictionary updated via online learning to minimize false alarms during operational transitions, and a Deep Sparse Dictionary combined with a temporal convolutional network to enhance sensitivity to incipient faults. Validated with data from a 100 MW wind-solar hydrogen demonstration project, the method demonstrates superior detection timeliness, accuracy, and robustness across single faults, coupled faults, mode-switching faults, and early weak faults compared to established techniques. This work provides an effective technical pathway to improve the operational reliability and economic efficiency of hybrid hydrogen production systems.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153459"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974386","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 : 2026-01-09DOI: 10.1016/j.ijhydene.2026.153378
Mohammed Al-Mahmodi , Hanan Mansy , Seiichi Takamatsu , Loiy Al-Ghussain , Thangaraja Jeyaseelan , Mohamed Ibrahim M , Rammohan A , Yong Wang
This work introduces a novel optimization framework that jointly sizes and dispatches a photovoltaic (PV)–electrolyzer–e-fuel plant while it bids into US day-ahead and real-time electricity markets. The proposed model includes both investment and operational decisions and explicitly values policy levers. A multi-scenario analysis evaluates the impact of operational constraints, which include renewable-only hydrogen production, grid import restrictions, and arbitrage limits, demonstrating that flexibility in grid interaction is critical for investment viability. Dispatch results reveal that electrolyzer operation is highly responsive to real-time price fluctuations, which leverage low-price periods for cost-effective hydrogen production. A structured sensitivity analysis spanning CO credit levels ($0–400/t) and hydrogen production subsidies ($0–50/MWh), evaluated across multiple operating scenarios, identifies three key findings: (i) investment is not triggered until the CO credit exceeds approximately $200/t; (ii) beyond this threshold, moderate subsidies enhance profitability and support 50MW electrolyzer and 30 MW e-methanol and 20 MW methane; and (iii) prohibiting grid imports or arbitrage fully suppresses investment, underscoring the necessity of operational flexibility. All analyses employ day-ahead and real-time price data obtained from the NYISO Market and Operations database for the Central zone, ensuring reproducibility and transparency in market-driven assessments.
{"title":"Optimization of PV–hydrogen–e-fuel plants with strategic trading in day-ahead and real-time electricity markets","authors":"Mohammed Al-Mahmodi , Hanan Mansy , Seiichi Takamatsu , Loiy Al-Ghussain , Thangaraja Jeyaseelan , Mohamed Ibrahim M , Rammohan A , Yong Wang","doi":"10.1016/j.ijhydene.2026.153378","DOIUrl":"10.1016/j.ijhydene.2026.153378","url":null,"abstract":"<div><div>This work introduces a novel optimization framework that jointly sizes and dispatches a photovoltaic (PV)–electrolyzer–e-fuel plant while it bids into US day-ahead and real-time electricity markets. The proposed model includes both investment and operational decisions and explicitly values policy levers. A multi-scenario analysis evaluates the impact of operational constraints, which include renewable-only hydrogen production, grid import restrictions, and arbitrage limits, demonstrating that flexibility in grid interaction is critical for investment viability. Dispatch results reveal that electrolyzer operation is highly responsive to real-time price fluctuations, which leverage low-price periods for cost-effective hydrogen production. A structured sensitivity analysis spanning CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> credit levels ($0–400/t) and hydrogen production subsidies ($0–50/MWh), evaluated across multiple operating scenarios, identifies three key findings: (i) investment is not triggered until the CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> credit exceeds approximately $200/t; (ii) beyond this threshold, moderate subsidies enhance profitability and support 50MW electrolyzer and 30 MW e-methanol and 20 MW methane; and (iii) prohibiting grid imports or arbitrage fully suppresses investment, underscoring the necessity of operational flexibility. All analyses employ day-ahead and real-time price data obtained from the NYISO Market and Operations database for the Central zone, ensuring reproducibility and transparency in market-driven assessments.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153378"},"PeriodicalIF":8.3,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941072","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}
Mo2C-based electrocatalysts are widely used in electrocatalytic hydrogen evolution reaction (HER) because of their excellent catalytic activity and strong stability. In this work, N,P–Mo2C@rGO, a reduced graphene oxide–loaded Mo2C heterostructure codoped with N and P, was designed as a highly efficient HER electrocatalyst on the basis of the doping of nonmetallic elements, engineering of defects, and construction of special heterostructures. The doping of N and P can efficiently fill up unoccupied d-orbitals in Mo, thus modulating the electronic structure of Mo2C. Moreover, the use of carbon vacancies for defect engineering can effectively modulate the local charge and stability of the catalyst. The local charge distribution and electronic structure of N,P–Mo2C@rGO can be regulated to optimize ΔGH*. In addition, the specific surface area of N,P–Mo2C@rGO can be significantly increased through the “Hemisphere–Net” synergistic effect. In this effect, hollow hemispheres formed through the aggregation of Mo2C nanoparticles can remarkably expand the specific surface area of the catalyst to provide additional active sites, and the heterostructure formed by the rGO substrate (“Net”) and Mo2C can promote electron transfer to improve the efficiency of electrocatalytic HER. Meanwhile, DFT calculations revealed that N,P–Mo2C@rGO significantly reduced the Mo–H* bond strength of Mo2C and optimized the free energy of hydrogen adsorption. Specifically, in 1.0 M KOH and 0.5 M H2SO4, N,P–Mo2C@rGO had overpotential values of 102 and 141 mV, respectively, and Tafel slopes of 86 and 88 mV·dec−1, respectively. This study provides a reference for the design of efficient electrocatalysts with special structures and defect engineering.
mo2c基电催化剂具有优异的催化活性和较强的稳定性,在电催化析氢反应(HER)中得到了广泛的应用。在本研究中,N,P - Mo2C@rGO是一种与N和P共掺杂的还原氧化石墨烯负载Mo2C异质结构,在非金属元素掺杂、缺陷工程和特殊异质结构构建的基础上,被设计成一种高效的HER电催化剂。N和P的掺杂可以有效地填充Mo中未占据的d轨道,从而调节Mo2C的电子结构。此外,利用碳空位进行缺陷工程可以有效地调节催化剂的局部电荷和稳定性。可以调节N,P - Mo2C@rGO的局部电荷分布和电子结构以优化ΔGH*。此外,通过“半球-网”协同效应,N,P - Mo2C@rGO的比表面积显著增加。在这种效应下,Mo2C纳米颗粒聚集形成的空心半球可以显著扩大催化剂的比表面积,从而提供额外的活性位点,而rGO底物(“Net”)与Mo2C形成的异质结构可以促进电子转移,从而提高电催化HER的效率。同时,DFT计算表明,N,P - Mo2C@rGO显著降低了Mo2C的Mo-H *键强度,优化了吸附氢的自由能。在1.0 M KOH和0.5 M H2SO4条件下,N、P - Mo2C@rGO的过电位值分别为102和141 mV, Tafel斜率分别为86和88 mV·dec−1。该研究为特殊结构高效电催化剂的设计和缺陷工程提供了参考。
{"title":"Defect-engineered efficient electrocatalytic hydrogen evolution from nitrogen- and phosphorus-doped reduced graphene oxide–loaded spherical crown Mo2C","authors":"Xin Chen , Hongyu Liu , Xudong Zhang, Aihua Jiang, Jianrong Xiao","doi":"10.1016/j.ijhydene.2026.153468","DOIUrl":"10.1016/j.ijhydene.2026.153468","url":null,"abstract":"<div><div>Mo<sub>2</sub>C-based electrocatalysts are widely used in electrocatalytic hydrogen evolution reaction (HER) because of their excellent catalytic activity and strong stability. In this work, N,P–Mo<sub>2</sub>C@rGO, a reduced graphene oxide–loaded Mo<sub>2</sub>C heterostructure codoped with N and P, was designed as a highly efficient HER electrocatalyst on the basis of the doping of nonmetallic elements, engineering of defects, and construction of special heterostructures. The doping of N and P can efficiently fill up unoccupied d-orbitals in Mo, thus modulating the electronic structure of Mo<sub>2</sub>C. Moreover, the use of carbon vacancies for defect engineering can effectively modulate the local charge and stability of the catalyst. The local charge distribution and electronic structure of N,P–Mo<sub>2</sub>C@rGO can be regulated to optimize ΔG<sub>H*</sub>. In addition, the specific surface area of N,P–Mo<sub>2</sub>C@rGO can be significantly increased through the “Hemisphere–Net” synergistic effect. In this effect, hollow hemispheres formed through the aggregation of Mo<sub>2</sub>C nanoparticles can remarkably expand the specific surface area of the catalyst to provide additional active sites, and the heterostructure formed by the rGO substrate (“Net”) and Mo<sub>2</sub>C can promote electron transfer to improve the efficiency of electrocatalytic HER. Meanwhile, DFT calculations revealed that N,P–Mo<sub>2</sub>C@rGO significantly reduced the Mo–H* bond strength of Mo<sub>2</sub>C and optimized the free energy of hydrogen adsorption. Specifically, in 1.0 M KOH and 0.5 M H<sub>2</sub>SO<sub>4</sub>, N,P–Mo<sub>2</sub>C@rGO had overpotential values of 102 and 141 mV, respectively, and Tafel slopes of 86 and 88 mV·dec<sup>−1</sup>, respectively. This study provides a reference for the design of efficient electrocatalysts with special structures and defect engineering.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153468"},"PeriodicalIF":8.3,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941128","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}
The interest in hydrogen production is higher than ever due to its key role as carbon-free energy carrier. In this work we propose a concept of electrified Steam Methane Reforming (e-SMR) reactor where a directly Joule-heated silicon infiltrated silicon carbide (SiSiC) foam provides heat to catalytic pellets packed inside the foam openings. All the advantages associated with a pelletized catalyst are maintained while a close coupling of heat generation by the foam with heat consumption by the catalytic reaction is guaranteed. An experimental campaign demonstrated the intensification potential of the reactor, which achieved specific power inputs up to 10 MW/m3 and specific energy consumptions of 1.33 kWh/Nm3H2.
A 2-D heterogeneous mathematical model was validated against the experimental data while a strategy based on sectioning the foam into several slices electrically connected in series is proposed to meet the requirements of low pressure drops and high electric circuit resistances necessary in scaled up units.
{"title":"Directly electrified SiSiC packed foam reactor for methane steam reforming: experimental study and model-based scaleup","authors":"Federico Nicolini, Matteo Ambrosetti, Alessandra Beretta, Gianpiero Groppi, Enrico Tronconi","doi":"10.1016/j.ijhydene.2026.153393","DOIUrl":"10.1016/j.ijhydene.2026.153393","url":null,"abstract":"<div><div>The interest in hydrogen production is higher than ever due to its key role as carbon-free energy carrier. In this work we propose a concept of electrified Steam Methane Reforming (e-SMR) reactor where a directly Joule-heated silicon infiltrated silicon carbide (SiSiC) foam provides heat to catalytic pellets packed inside the foam openings. All the advantages associated with a pelletized catalyst are maintained while a close coupling of heat generation by the foam with heat consumption by the catalytic reaction is guaranteed. An experimental campaign demonstrated the intensification potential of the reactor, which achieved specific power inputs up to 10 MW/m<sup>3</sup> and specific energy consumptions of 1.33 kWh/Nm<sup>3</sup><sub>H2</sub>.</div><div>A 2-D heterogeneous mathematical model was validated against the experimental data while a strategy based on sectioning the foam into several slices electrically connected in series is proposed to meet the requirements of low pressure drops and high electric circuit resistances necessary in scaled up units.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153393"},"PeriodicalIF":8.3,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941512","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 : 2026-01-09DOI: 10.1016/j.ijhydene.2026.153432
Thi Anh Nga Nguyen , Nguyen Tien Tran , Ha Huu Do
The development of stable and exceptional hydrogen evolution reaction electrocatalysts plays an essential role in decreasing the carbon footprint and keeping the planet green and salubrious. Fabrication of transition metal-single atoms (TM-SA) on various substrates, such as transition metal compounds and carbon materials, is a potential solution in advancing efficient electrodes for HER due to maximized atomic utilization, creating a synergistic effect, tunable electronic properties, and reduced metal loading. Their atomically dispersed active sites provide unique coordination environments and optimized adsorption energy of intermediates, enabling TM-SAs to outperform conventional electrocatalysts. This review presents the latest works on SA-based electrocatalysts for HER. We describe various pathways for HER, then explore the different fabrication processes of SA-based catalysts. Moreover, noble metals SA (Pt, Ru, Pd SA), non-noble metals SA (Co, Ni, Mo SA), and their combination related to electrocatalysts for HER are discussed. Ultimately, the specific limitations and future perspectives for advancing TM-SA-based HER electrocatalysts were manifested.
{"title":"Recent progress in transition metal single-atom-based electrocatalysts for hydrogen evolution reaction: Challenges and perspectives","authors":"Thi Anh Nga Nguyen , Nguyen Tien Tran , Ha Huu Do","doi":"10.1016/j.ijhydene.2026.153432","DOIUrl":"10.1016/j.ijhydene.2026.153432","url":null,"abstract":"<div><div>The development of stable and exceptional hydrogen evolution reaction electrocatalysts plays an essential role in decreasing the carbon footprint and keeping the planet green and salubrious. Fabrication of transition metal-single atoms (TM-SA) on various substrates, such as transition metal compounds and carbon materials, is a potential solution in advancing efficient electrodes for HER due to maximized atomic utilization, creating a synergistic effect, tunable electronic properties, and reduced metal loading. Their atomically dispersed active sites provide unique coordination environments and optimized adsorption energy of intermediates, enabling TM-SAs to outperform conventional electrocatalysts. This review presents the latest works on SA-based electrocatalysts for HER. We describe various pathways for HER, then explore the different fabrication processes of SA-based catalysts. Moreover, noble metals SA (Pt, Ru, Pd SA), non-noble metals SA (Co, Ni, Mo SA), and their combination related to electrocatalysts for HER are discussed. Ultimately, the specific limitations and future perspectives for advancing TM-SA-based HER electrocatalysts were manifested.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153432"},"PeriodicalIF":8.3,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941213","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}