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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 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。
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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 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。
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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 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。
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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 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 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.
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。
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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 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 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.
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。
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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 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。
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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 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 CO2 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 CO2 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。
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引用次数: 0
Defect-engineered efficient electrocatalytic hydrogen evolution from nitrogen- and phosphorus-doped reduced graphene oxide–loaded spherical crown Mo2C 氮和磷掺杂还原性氧化石墨烯负载球形冠Mo2C的缺陷工程高效电催化析氢
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-09 DOI: 10.1016/j.ijhydene.2026.153468
Xin Chen , Hongyu Liu , Xudong Zhang, Aihua Jiang, Jianrong Xiao
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。
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引用次数: 0
Directly electrified SiSiC packed foam reactor for methane steam reforming: experimental study and model-based scaleup 甲烷蒸汽重整用直电气化SiSiC填充泡沫反应器:实验研究与模型放大
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-09 DOI: 10.1016/j.ijhydene.2026.153393
Federico Nicolini, Matteo Ambrosetti, Alessandra Beretta, Gianpiero Groppi, Enrico Tronconi
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.
由于氢气作为无碳能源载体的关键作用,人们对氢气生产的兴趣比以往任何时候都高。在这项工作中,我们提出了一种电气化蒸汽甲烷重整(e-SMR)反应器的概念,其中直接焦耳加热的硅渗透碳化硅(SiSiC)泡沫为填充在泡沫开口内的催化颗粒提供热量。与球团化催化剂相关的所有优点都得到了保持,同时保证了泡沫产生的热量与催化反应消耗的热量的密切耦合。实验证明了该反应器的强化潜力,其比功率输入高达10 MW/m3,比能耗为1.33 kWh/Nm3H2。根据实验数据验证了二维非均匀数学模型,并提出了一种基于将泡沫切割成若干片串联电连接的策略,以满足放大装置所需的低压降和高电路电阻的要求。
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引用次数: 0
Recent progress in transition metal single-atom-based electrocatalysts for hydrogen evolution reaction: Challenges and perspectives 析氢反应用过渡金属单原子电催化剂的研究进展:挑战与展望
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-09 DOI: 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.
开发稳定、性能优异的析氢反应电催化剂对减少碳足迹、保持地球绿色健康具有重要意义。在各种衬底(如过渡金属化合物和碳材料)上制造过渡金属单原子(TM-SA)是推进HER高效电极的潜在解决方案,因为它可以最大限度地利用原子,产生协同效应,可调谐电子特性,并减少金属负载。其原子分散的活性位点为中间体提供了独特的配位环境和优化的吸附能,使TM-SAs的性能优于传统的电催化剂。本文综述了纳米硅电催化剂的最新研究进展。我们描述了HER的各种途径,然后探索了sa基催化剂的不同制备工艺。此外,还讨论了贵金属SA (Pt, Ru, Pd SA)和非贵金属SA (Co, Ni, Mo SA)及其组合与HER电催化剂的关系。最后,指出了基于tm - sa的HER电催化剂的局限性和未来发展前景。
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引用次数: 0
期刊
International Journal of Hydrogen Energy
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