International Journal of Hydrogen Energy最新文献_第10页

Hydrogen production via low-temperature methanol autothermal reforming promoted by in-situ CO2 adsorption 原位CO2吸附促进低温甲醇自热重整制氢

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 10.1016/j.ijhydene.2025.152672

Lingzhi Yang , Xiao Li , Shunjiang Wang , Ke Guo , Yunyun Wu , Yu Shao , Shuo Zhang , Yong Hao

Hydrogen provides a potential solution for replacing fossil fuels and alleviating their environmental impacts on a large scale. Hydrogen fuel cell vehicles are an ideal alternative to conventional fuel vehicles that account for the majority of petroleum consumption. However, several critical barriers to on-board hydrogen production systems for fuel cells remain, typically including high reaction temperatures, high energy consumption, and high carbon emissions. In this study, a novel method of autothermal reforming of methanol promoted by in-situ CO₂ adsorption is proposed for low-temperature hydrogen production with enhanced efficiency and low carbon footprint. The feasibility of the method is verified by numerical simulation of a reactor filled by a well-mixed bed of reforming catalyst (CuO/ZnO/Al₂O₃) and CO₂ adsorbent (hydrophobic modified activated carbon), which promotes hydrogen production with CO₂ capture by forward-shifted equilibrium of the autothermal reforming reaction. A multiple-port air supply design is adopted to supply reaction heat and homogenize the temperature field along the shell of the reaction tube, so as to reduce heat transfer losses and achieve thermal self-sustainability. With a feed temperature of 200 °C and an operating pressure of 5 bar, hydrogen production with a yield up to 0.22 g/(g_catalyst·h) and purity up to 86.86% (inert gas impurity) can be achieved. Furthermore, three feeding and filling designs of the reactor are investigated for the optimization of reactor operation. Simulation results show that the maximum temperature difference inside the reaction chamber decreases significantly from 51.6 °C to 14.6 °C after adjustment of the air feeding design. After in-situ carbon dioxide adsorption optimization, the outlet hydrogen purity increases by 21.44% (relative), the hydrogen yield increases from 2.49 mol/mol_CH3OH to 2.73 mol/mol_CH3OH, and the carbon monoxide concentration decreases sharply from 2188.51 ppm to 526.51 ppm. The CO₂ is completely captured during the hydrogen production process while a high CO₂ concentration of 99.97% (due to the presence of residual gases) is achieved after the regeneration of CO₂ adsorbent. The autothermal reforming reactor design proves successful in eliminating external heating by combustion and thus achieves increased methanol conversion and reduced carbon emissions at low temperatures. The optimized reactor can satisfy the hydrogen demand of fuel cells in portable and stationary applications after scaling up, and provides a potentially promising approach for on-site hydrogen production for fuel cells at low operating temperatures.

氢为替代化石燃料和大规模减轻其对环境的影响提供了一个潜在的解决方案。氢燃料电池汽车是传统燃料汽车的理想替代品，传统燃料汽车占石油消耗的大部分。然而，用于燃料电池的车载制氢系统仍然存在几个关键障碍，通常包括高反应温度、高能耗和高碳排放。在本研究中，提出了一种由原位CO2吸附促进的甲醇自热重整的新方法，以提高低温制氢效率和低碳足迹。通过数值模拟验证了该方法的可行性，该方法由重整催化剂（CuO/ZnO/Al2O3）和CO2吸附剂（疏水改性活性炭）混合床填充反应器，通过自热重整反应的正移平衡捕获CO2促进制氢。采用多通道送风设计，提供反应热，使反应管沿管壳方向的温度场均匀化，减少传热损失，实现热的自持续。在进料温度为200℃，操作压力为5 bar的条件下，产氢率可达0.22 g/(gcatalyst·h)，纯度可达86.86%（惰性气体杂质）。此外，还研究了反应器的三种进料和填充设计，以优化反应器的运行。仿真结果表明，调整进气设计后，反应室内最大温差从51.6℃明显减小到14.6℃。经过原位二氧化碳吸附优化后，出口氢气纯度（相对）提高21.44%，产氢率从2.49 mol/molCH3OH提高到2.73 mol/molCH3OH，一氧化碳浓度从2188.51 ppm急剧下降到526.51 ppm。二氧化碳在制氢过程中被完全捕获，而二氧化碳吸附剂再生后达到99.97%的高浓度（由于残余气体的存在）。自热重整反应器设计成功地消除了燃烧的外部加热，从而提高了甲醇转化率，减少了低温下的碳排放。优化后的反应器可以满足便携式和固定式燃料电池对氢气的需求，为燃料电池在低温下的现场制氢提供了一种有潜力的方法。

{"title":"Hydrogen production via low-temperature methanol autothermal reforming promoted by in-situ CO2 adsorption","authors":"Lingzhi Yang , Xiao Li , Shunjiang Wang , Ke Guo , Yunyun Wu , Yu Shao , Shuo Zhang , Yong Hao","doi":"10.1016/j.ijhydene.2025.152672","DOIUrl":"10.1016/j.ijhydene.2025.152672","url":null,"abstract":"<div><div>Hydrogen provides a potential solution for replacing fossil fuels and alleviating their environmental impacts on a large scale. Hydrogen fuel cell vehicles are an ideal alternative to conventional fuel vehicles that account for the majority of petroleum consumption. However, several critical barriers to on-board hydrogen production systems for fuel cells remain, typically including high reaction temperatures, high energy consumption, and high carbon emissions. In this study, a novel method of autothermal reforming of methanol promoted by in-situ CO<sub>2</sub> adsorption is proposed for low-temperature hydrogen production with enhanced efficiency and low carbon footprint. The feasibility of the method is verified by numerical simulation of a reactor filled by a well-mixed bed of reforming catalyst (CuO/ZnO/Al<sub>2</sub>O<sub>3</sub>) and CO<sub>2</sub> adsorbent (hydrophobic modified activated carbon), which promotes hydrogen production with CO<sub>2</sub> capture by forward-shifted equilibrium of the autothermal reforming reaction. A multiple-port air supply design is adopted to supply reaction heat and homogenize the temperature field along the shell of the reaction tube, so as to reduce heat transfer losses and achieve thermal self-sustainability. With a feed temperature of 200 °C and an operating pressure of 5 bar, hydrogen production with a yield up to 0.22 g/(g<sub>catalyst</sub>·h) and purity up to 86.86% (inert gas impurity) can be achieved. Furthermore, three feeding and filling designs of the reactor are investigated for the optimization of reactor operation. Simulation results show that the maximum temperature difference inside the reaction chamber decreases significantly from 51.6 °C to 14.6 °C after adjustment of the air feeding design. After in-situ carbon dioxide adsorption optimization, the outlet hydrogen purity increases by 21.44% (relative), the hydrogen yield increases from 2.49 mol/mol<sub>CH3OH</sub> to 2.73 mol/mol<sub>CH3OH</sub>, and the carbon monoxide concentration decreases sharply from 2188.51 ppm to 526.51 ppm. The CO<sub>2</sub> is completely captured during the hydrogen production process while a high CO<sub>2</sub> concentration of 99.97% (due to the presence of residual gases) is achieved after the regeneration of CO<sub>2</sub> adsorbent. The autothermal reforming reactor design proves successful in eliminating external heating by combustion and thus achieves increased methanol conversion and reduced carbon emissions at low temperatures. The optimized reactor can satisfy the hydrogen demand of fuel cells in portable and stationary applications after scaling up, and provides a potentially promising approach for on-site hydrogen production for fuel cells at low operating temperatures.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 152672"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941070","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}

引用次数: 0

Metal oxide semiconductor-based hydrogen gas sensors: A comprehensive review 基于金属氧化物半导体的氢气传感器：综述

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 10.1016/j.ijhydene.2026.153405

Sheng Luo , Zhou Fan , Yingfeng Ye , Xinyue Li , Dingkun Yang

Metal-Oxide-Semiconductor (MOS) chemiresistive hydrogen sensors offer significant promise for hydrogen safety monitoring due to high sensitivity and cost-effectiveness. This review systematically assesses recent progress in MOS materials for hydrogen sensing, elucidating the underlying hydrogen-sensitive mechanisms and surface reaction kinetics. Regulation mediated by oxygen vacancies of electron depletion layers is confirmed as the fundamental mechanism driving the resistive response. Three key optimization strategies are comprehensively examined: nanostructure design (e.g., porous architectures), metal modification via noble metal catalytic activation, and heterojunction interface engineering for band structure optimization. These approaches synergistically enhance surface active site density and charge transfer efficiency, significantly improving sensor response kinetics and low-concentration detection capability. This review aims to provide insights for researchers in the development of MOS hydrogen sensors, dedicated to designing devices with strong response, high selectivity and stability, superior humidity resistance, rapid response/recovery kinetics, and reliable operation in low-temperature and low-concentration hydrogen environments.

金属氧化物半导体（MOS）化学氢传感器具有高灵敏度和高成本效益，为氢安全监测提供了重要的前景。本文系统地评价了用于氢传感的MOS材料的最新进展，阐明了潜在的氢敏感机制和表面反应动力学。电子耗尽层氧空位介导的调控被证实是驱动电阻响应的基本机制。本文全面研究了三种关键的优化策略：纳米结构设计（如多孔结构）、贵金属催化活化金属改性和异质结界面工程优化带结构。这些方法协同提高了表面活性位点密度和电荷转移效率，显著提高了传感器响应动力学和低浓度检测能力。本文旨在为研究人员在低温低浓度氢环境下设计具有高响应、高选择性和稳定性、优异的耐湿性、快速响应/恢复动力学和可靠运行的MOS氢传感器提供参考。

{"title":"Metal oxide semiconductor-based hydrogen gas sensors: A comprehensive review","authors":"Sheng Luo , Zhou Fan , Yingfeng Ye , Xinyue Li , Dingkun Yang","doi":"10.1016/j.ijhydene.2026.153405","DOIUrl":"10.1016/j.ijhydene.2026.153405","url":null,"abstract":"<div><div>Metal-Oxide-Semiconductor (MOS) chemiresistive hydrogen sensors offer significant promise for hydrogen safety monitoring due to high sensitivity and cost-effectiveness. This review systematically assesses recent progress in MOS materials for hydrogen sensing, elucidating the underlying hydrogen-sensitive mechanisms and surface reaction kinetics. Regulation mediated by oxygen vacancies of electron depletion layers is confirmed as the fundamental mechanism driving the resistive response. Three key optimization strategies are comprehensively examined: nanostructure design (e.g., porous architectures), metal modification via noble metal catalytic activation, and heterojunction interface engineering for band structure optimization. These approaches synergistically enhance surface active site density and charge transfer efficiency, significantly improving sensor response kinetics and low-concentration detection capability. This review aims to provide insights for researchers in the development of MOS hydrogen sensors, dedicated to designing devices with strong response, high selectivity and stability, superior humidity resistance, rapid response/recovery kinetics, and reliable operation in low-temperature and low-concentration hydrogen environments.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153405"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941069","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}

引用次数: 0

Data driven hybrid feature selection and GPR based modeling for identifying critical fault variables in PEMFCs 数据驱动混合特征选择和基于探地雷达的pemfc关键故障变量识别建模

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 10.1016/j.ijhydene.2026.153446

Meltem Yavuz Çelikdemir , Soner Çelikdemir , Mahmut Temel Özdemir

This study identifies the most influential variables governing voltage prediction in Polymer Electrolyte Membrane Fuel Cells (PEMFCs) and quantifies their deviations under flooding related fault conditions. An experimental dataset of 33,899 records and 22 variables from an 80 W PEMFC system is analyzed. A hybrid feature selection framework that integrates correlation analysis, Least Absolute Shrinkage and Selection Operator regression, Random Forest and Gradient Boosting determines the dominant variables affecting cell voltage. 28 machine learning regression algorithms are compared, and the Exponential Gaussian Process Regression model achieves the best prediction performance, with a RMSE of 0.00362 and a coefficient of determination of 0.99949. Critical deviation analysis then determines the positive and negative deviation ranges of the key variables that lead to a ±5 % voltage change, defined as the fault threshold. In this study, a fault is interpreted as a performance deviation from the nominal operating voltage rather than a specific degradation mechanism alone. The results show that heater temperature, stack thermal profile and hydrogen inlet temperature are the most sensitive parameters.

本研究确定了影响聚合物电解质膜燃料电池（pemfc）电压预测的最重要变量，并量化了它们在泛洪相关故障条件下的偏差。分析了80 W PEMFC系统的33,899条记录和22个变量的实验数据。结合相关分析、最小绝对收缩和选择算子回归、随机森林和梯度增强的混合特征选择框架确定了影响电池电压的主要变量。对比28种机器学习回归算法，指数高斯过程回归模型的预测性能最好，RMSE为0.00362，决定系数为0.99949。临界偏差分析确定导致±5%电压变化的关键变量的正负偏差范围，定义为故障阈值。在本研究中，故障被解释为性能偏离标称工作电压，而不是单独的特定退化机制。结果表明，加热器温度、堆热廓线和氢气入口温度是最敏感的参数。

{"title":"Data driven hybrid feature selection and GPR based modeling for identifying critical fault variables in PEMFCs","authors":"Meltem Yavuz Çelikdemir , Soner Çelikdemir , Mahmut Temel Özdemir","doi":"10.1016/j.ijhydene.2026.153446","DOIUrl":"10.1016/j.ijhydene.2026.153446","url":null,"abstract":"<div><div>This study identifies the most influential variables governing voltage prediction in Polymer Electrolyte Membrane Fuel Cells (PEMFCs) and quantifies their deviations under flooding related fault conditions. An experimental dataset of 33,899 records and 22 variables from an 80 W PEMFC system is analyzed. A hybrid feature selection framework that integrates correlation analysis, Least Absolute Shrinkage and Selection Operator regression, Random Forest and Gradient Boosting determines the dominant variables affecting cell voltage. 28 machine learning regression algorithms are compared, and the Exponential Gaussian Process Regression model achieves the best prediction performance, with a RMSE of 0.00362 and a coefficient of determination of 0.99949. Critical deviation analysis then determines the positive and negative deviation ranges of the key variables that lead to a ±5 % voltage change, defined as the fault threshold. In this study, a fault is interpreted as a performance deviation from the nominal operating voltage rather than a specific degradation mechanism alone. The results show that heater temperature, stack thermal profile and hydrogen inlet temperature are the most sensitive parameters.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"206 ","pages":"Article 153446"},"PeriodicalIF":8.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941415","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}

引用次数: 0

Deep learning-enhanced techno-economic optimization of hybrid wind-solar-hydrogen system for Dutch heating networks 深度学习增强的荷兰供热系统风能-太阳能-氢混合系统技术经济优化

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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.

本研究提出了一项全面的技术、经济和环境分析，将氢气整合到荷兰的供热网络中，以增强季节性储存并减少二氧化碳排放。提出了一种混合太阳能-风-氢系统，包括光伏板、风力涡轮机、电池储能系统、质子交换膜电解槽、氢气压缩和存储单元、质子交换膜燃料电池和水对水热泵。开发了一种自适应调峰控制器，对电池储能系统进行动态限制，将多余的可再生电力用于制氢；它的应用使最高观测峰降低了72%。该系统在恩斯赫德市进行了测试，在那里，控制器使电池能够支持调峰，并协调多余的可再生电力向绿色氢发电的路线，这些电力被储存起来，以后在寒冷时期使用。深度学习辅助优化框架与遗传算法相结合，在准确预测系统性能的同时显著降低了计算成本。结果表明，氢气能够实现季节性储存，实现了35.04%的能源效率，4.84欧元/小时（5.24美元/小时）的总成本率，年二氧化碳排放量为63.64吨，氢气的平准化成本为6.48欧元/公斤，在寒冷时期的供热组合中占42.21%的份额。

{"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}

引用次数: 0

First-principles study of Ti-decorated graphene-based single-atom catalyst for MgH2 dehydrogenation 钛修饰石墨烯基MgH2脱氢单原子催化剂的第一性原理研究

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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.

石墨烯基单原子催化剂（G-SACs）在提高MgH2储氢性能方面具有重要作用。在这项工作中，将单个Ti原子掺入到各种改性石墨烯中，包括原始石墨烯(G)、单空位石墨烯（SVG）和双空位石墨烯（DVG），以及单空位（N3G）和双空位（N4G）的n修饰石墨烯。基于MgH2/G-SACs异质结模型，采用第一性原理计算方法系统研究了ti修饰G-SACs配位环境对MgH2脱氢性能的影响。研究发现，有缺陷的石墨烯可以防止钛原子聚集，而原始的石墨烯则不能。结构分析表明，ti修饰的G-SACs的引入导致Mg-H键的延伸和界面处H原子有效电荷的降低，表明Mg-H键有减弱的趋势。在脱氢热力学方面，ti修饰的G-SAC降低了MgH2的氢解吸能，其中对N3G配位环境下的G-SAC影响最为显著（Ti@N3G）。有趣的是，通过从头算分子动力学模拟，Ti@N3G对氢扩散动力学的增强作用也最大，这表明MgH2/Ti@N3G界面是氢原子的快速扩散通道。

{"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}

引用次数: 0

Advances in engineering Ni-based catalysts for boosting selective glycerol electrooxidation to formic acid 催化甘油选择性电氧化制甲酸的工程镍基催化剂研究进展

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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.

选择性电催化甘油（GLY）重整制有价甲酸（FA）是一种很有前途的方法，但在C-C裂解和C-O偶联过程中存在高能量势垒。镍基催化剂通过生成活性高价位显示出巨大的潜力，但其性能仍低于工业需求。为了促进GLY氧化反应（GOR）的高性能ni基催化剂的合理设计和开发，我们全面综述了近年来工程ni基电催化剂在提高选择性FA生产方面的突破。本文系统地介绍了GOR的基本反应机理，镍基催化剂的内在优势和局限性，以及通过结构修饰优化其催化性能的创新策略。具体来说，本文还讨论了具有代表性的策略，包括电子结构工程、缺陷工程和双金属协同效应，这些策略共同旨在提高GOR的活性和选择性。最后，总结了在实际GOR应用中推进镍基电催化剂的主要挑战和未来展望。

{"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}

引用次数: 0

Enhancing the dehydrogenation behavior of the LiAlH4(100) surface through transition metal doping (TM=Co, Ti, Pt, and Pd) 过渡金属掺杂（TM=Co, Ti, Pt，和Pd）增强LiAlH4（100）表面脱氢行为

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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 H_A 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.

虽然LiAlH4是一种很有前途的储氢材料，但它的实际商业应用仍然受到氢解吸能垒高和脱氢动力学缓慢的阻碍。为了提高LiAlH4（100）表面的氢释放性能，我们利用第一性原理计算研究了过渡金属（TM）掺杂对LiAlH4（100）表面氢解吸行为、电子和光学性能的影响。根据[AlH4]基团的结构特点，考虑了4个氢脱附位点。结果表明，所有tm掺杂都提高了体系的热力学稳定性，其中共掺杂表现出更好的结构稳定性。重要的是，所有tm掺杂都显著降低了LiAlH4（100）表面的氢解吸能。共掺杂在HA位点的能垒最低，表现出最优异的催化活性，说明共掺杂促进氢释放的效果最好。从本质上讲，脱氢能的降低是tm掺杂削弱了Al-p态和H-s态之间的杂化，使[AlH4]基团中Al-H键的键强减弱，有利于氢原子的脱附。此外，虽然掺杂tm的LiAlH4仍然保持了紫外响应特性，但其吸收边缘出现了明显的红移现象，表明其光学响应范围扩大。因此，我们认为共掺杂不仅可以有效地降低LiAlH4（100）表面的氢解吸屏障，还可以增强脱氢动力学，为促进LiAlH4基储氢材料的商业应用提供了可能的途径。

{"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}

引用次数: 0

Novel insights of thermodynamic efficiency calculations of electrolyser systems for hydrogen production 新见解的热力学效率计算的电解槽系统的氢气生产

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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 U_th = 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.

本文研究了氢电解系统的热力学效率，特别是解决了经常使用简化的热中性电池电压值Uth = 1.481 V，这可能导致错误的结果。分析表明，存在明显的偏差，特别是在低操作压力的系统中，这是一个问题，因为这些技术是由几家制造商追求的。为了缩小这一研究差距，本文提出了一种正确计算效率的方法。本文概述了效率计算的基本原理，推导了一个多项式函数，以确定高精度的热中性电池电压，并构建了COMSOL仿真模型。这种创新的方法为简化和提高效率计算的准确性提供了精确和用户友好的解决方案。此外，还用实例说明了进一步的影响因素，以便对电解过程进行有根据的比较。这些发现进行了比较和讨论，提供了对电解热力学的更好理解和对文献中常见假设的关键观点。

{"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}

引用次数: 0

Fault detection and diagnosis of hybrid hydrogen production systems with dynamic deep coupled dictionary learning 基于动态深度耦合字典学习的混合制氢系统故障检测与诊断

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-10 DOI: 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.

全球向可持续能源的转变凸显了绿色氢的关键作用。混合制氢系统集成了碱性（AEL）和质子交换膜（PEMEL）电解槽，为利用间歇性可再生能源提供了一个很有前途的解决方案。然而，它们复杂的结构和动态运行给故障检测和诊断带来了很大的挑战。本文提出了一种动态深度耦合字典学习（DDCDL）方法来解决这些问题。该方法构建了一个统一的联合字典，用于融合多模态AEL和PEMEL数据进行综合诊断；一个动态自适应字典，通过在线学习更新，以最大限度地减少操作过渡期间的误报；一个深度稀疏字典，结合时间卷积网络，以提高对早期故障的敏感性。与现有技术相比，该方法在单个故障、耦合故障、模式切换故障和早期弱故障的检测及时性、准确性和鲁棒性方面都优于现有技术。为提高混合制氢系统的运行可靠性和经济性提供了有效的技术途径。

{"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}

引用次数: 0

Optimization of PV–hydrogen–e-fuel plants with strategic trading in day-ahead and real-time electricity markets 具有日前和实时电力市场战略交易的pv -氢燃料电厂优化

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-01-09 DOI: 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

_{2}

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

_{2}

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.

这项工作引入了一个新的优化框架，该框架在光伏(PV) -电解槽-电子燃料工厂在美国日前和实时电力市场投标时，联合对其进行规模和调度。所建议的模型包括投资和操作决策，并明确地重视政策杠杆。一项多情景分析评估了运营限制的影响，包括可再生氢生产、电网进口限制和套利限制，表明电网互动的灵活性对投资可行性至关重要。调度结果显示，电解槽运行对实时价格波动的反应非常灵敏，从而利用低价期实现具有成本效益的制氢。通过对二氧化碳信用额度（0-400美元/吨）和氢气生产补贴（0-50美元/兆瓦时）的结构化敏感性分析，对多种运营情景进行了评估，确定了三个关键发现：(i)在二氧化碳信用额度超过约200美元/吨之前，不会触发投资；（ii）超过这个门槛，适度补贴提高盈利能力，并支持50MW电解槽和30mw电甲醇和20mw甲烷；（三）禁止电网进口或套利充分抑制了投资，强调了运营灵活性的必要性。所有分析均采用从NYISO市场和操作数据库中获取的每日实时价格数据，以确保市场驱动评估的可重复性和透明度。

{"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}

引用次数: 0