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Catalytic Hydrogen Production and Hydrogen Energy Utilization
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Catalytic Hydrogen Production and Hydrogen Energy Utilization

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "A5: Hydrogen Energy".

Deadline for manuscript submissions: 5 December 2025 | Viewed by 4659

Special Issue Editor

Prof. Dr. Yuzhong Li

E-Mail Website
Guest Editor
School of Nuclear Science, Energy and Power Engineering, Shandong University, Jinan 250061, China
Interests: catalytic hydrogen production and hydrogen energy utilization; low-carbon technologies in energy systems; coal-fired pollutant control

Special Issue Information

Dear Colleagues,

This is an invitation for submissions to a Special Issue of Energies on the subject area of "Catalytic Hydrogen Production and Hydrogen Energy Utilization". Hydrogen energy has emerged as a cornerstone of the global energy transition, offering a clean and sustainable energy alternative. Catalytic hydrogen production and hydrogen utilization have gained significant attention due to their potential to decarbonize energy systems and support the goal of global net-zero carbon.

This Special Issue aims to explore advanced techniques and strategies for hydrogen production, storage, and utilization. Topics of interest for publication include, but are not limited to, the following:

  • Catalytic hydrolysis for hydrogen production;
  • Catalytic pyrolysis and thermochemical hydrogen production;
  • Electrolytic hydrogen production;
  • Hydrogen storage technologies (chemical and physical methods);
  • Hydrogen combustion systems and technologies;
  • Fuel cell technologies for hydrogen energy conversion;
  • Novel materials and catalysts for hydrogen production and storage;
  • Hydrogen utilization in industrial processes and transportation;
  • Life-cycle assessment and economic analysis of hydrogen systems;
  • Integration of hydrogen with renewable energy systems;
  • AI and IoT applications in hydrogen energy systems;
  • Safety and environmental aspects of hydrogen energy systems.

Prof. Dr. Yuzhong Li
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Energies is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • catalytic hydrogen production
  • hydrogen energy utilization
  • electrolytic hydrogen
  • hydrogen storage
  • fuel cells
  • renewable energy integration
  • hydrogen combustion
  • materials and catalysts
  • hydrogen safety and environmental aspects
  • IoT
  • AI

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Published Papers (5 papers)

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Research

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18 pages, 3812 KiB  
Article
Boosting Hydrogen Production from Hydrogen Iodide Decomposition over Activated Carbon by Targeted Removal of Oxygen Functional Groups: Evidence from Experiments and DFT Calculations
by Xuhan Li, Ran Zhang and Liqiang Zhang
Energies 2025, 18(16), 4288; https://doi.org/10.3390/en18164288 - 12 Aug 2025
Viewed by 262
Abstract
In the thermochemical sulfur–iodine water splitting cycle for hydrogen production, the hydrogen iodide (HI) decomposition reaction serves as the rate-determining step, and its high efficiency relies on the precise design of active sites on the catalyst. This paper combines experimental characterization with density [...] Read more.
In the thermochemical sulfur–iodine water splitting cycle for hydrogen production, the hydrogen iodide (HI) decomposition reaction serves as the rate-determining step, and its high efficiency relies on the precise design of active sites on the catalyst. This paper combines experimental characterization with density functional theory (DFT) calculations, focusing on activated carbon catalysts. By regulating the types and contents of oxygen-containing functional groups through H2 reduction treatment at different temperatures, the influence of oxygen-containing functional groups on HI decomposition was investigated. The results show that H2 reduction treatment can gradually remove oxygen-containing functional groups such as carboxyl, hydroxyl, and carbonyl groups on the surface of activated carbon without significantly affecting the pore structure. Catalytic activity tests conducted under the typical reaction temperature of 500 °C confirmed that as the content of oxygen-containing functional groups decreases, the HI decomposition efficiency increases. DFT calculations further revealed the role of oxygen-containing functional groups: they inhibit the chemisorption of reactant HI on unsaturated carbon atoms and alter the desorption activation energy of product H2, thereby affecting the overall reaction process. This study provides important theoretical guidance and experimental basis for designing efficient HI decomposition catalysts. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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17 pages, 11603 KiB  
Article
Numerical Simulation of Gas–Liquid Flow Field in PEM Water Electrolyzer
by Yusheng Zhang, Xiaoying Yuan, Sheng Yao, Hairui Yang and Cuiping Wang
Energies 2025, 18(11), 2773; https://doi.org/10.3390/en18112773 - 26 May 2025
Viewed by 909
Abstract
Hydrogen is an excellent clean energy, and hydrogen production by electrolyzing water has become the preferred method. Due to its high electrolysis efficiency and great potential for energy conversion and storage, water electrolysis in a proton exchange membrane (PEM) electrolyzer has attracted considerable [...] Read more.
Hydrogen is an excellent clean energy, and hydrogen production by electrolyzing water has become the preferred method. Due to its high electrolysis efficiency and great potential for energy conversion and storage, water electrolysis in a proton exchange membrane (PEM) electrolyzer has attracted considerable attention. In order to explore the factors affecting the internal resistance of PEM water electrolyzers and optimize them, a three-dimensional steady-state model of PEM water electrolyzers coupled with a porous media physical field was established. First, the flow fields in multi-channel and single-channel electrolyzers were designed and comparably simulated. It was found that both flow field configuration and flow modes affected the mass transfer and current distribution. The multi-channel parallel flow field had the lowest flow pressure drop and uniform flow field, which is beneficial to efficient catalytic electrolysis. Secondly, the simulation results of mass transfer in the PEM cell were highly consistent with the reference experimental data, and the increased reference exchange current density (i0) can improve the oxygen/hydrogen production performance of the cell. These findings are helpful in optimizing the design of the PEM water electrolyzer. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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Graphical abstract

22 pages, 3468 KiB  
Article
Generation Characteristics of Gas Products in Fluidized Bed Gasification of Wood Pellets Under Oxygen-Enriched Conditions and Their Effects on Methanol Synthesis
by Xiangli Zuo, Huawei Jiang, Tianyu Gao, Man Zhang, Hairui Yang and Tuo Zhou
Energies 2025, 18(5), 1310; https://doi.org/10.3390/en18051310 - 6 Mar 2025
Viewed by 909
Abstract
Methanol synthesis can utilize the product gas from biomass gasification and the hydrogen generated from water electrolysis. Biomass gasification, as an upstream process, affects the subsequent hydrogen supplement amount and has a direct relationship with the methanol yield. Fluidized bed oxygen-enriched gasification has [...] Read more.
Methanol synthesis can utilize the product gas from biomass gasification and the hydrogen generated from water electrolysis. Biomass gasification, as an upstream process, affects the subsequent hydrogen supplement amount and has a direct relationship with the methanol yield. Fluidized bed oxygen-enriched gasification has a particular advantage for biomass and is expected to utilize the remaining oxygen from water electrolysis. In this study, the effects of operating parameters, including the equivalence ratio ER, temperature T, oxygen percentage OP in oxygen-enriched air, steam-to-wood pellets mass ratio S/W, and fluidization velocity ug, as well as the choice of bed materials, on the volume fractions of the gas products and the gas yield from the fluidized bed oxygen-enriched gasification of wood pellets were investigated. The effects of the generation characteristics of gas products on the hydrogen supplement amount and the methanol yield were also analyzed. The results showed that the volume fraction of H2 reached its peak values of 10.47% and 18.49% at an ER value of 0.28 and a ug value of 0.187 m/s, respectively. The methanol yield reached its peak value of 0.54 kg/kg at a ug value of 0.155 m/s. The volume fraction of H2 increased from 6.13% to 11.74% with an increasing temperature from 650 °C to 850 °C, increased from 5.72% to 10.77% with an increasing OP value from 21% to 35%, and increased from 12.39% to 19.06% with an increasing S/W value from 0.16 to 0.38. The methanol yield could be improved by increasing the ER value, T value, OP value, or S/W value. When the bed materials were changed from quartz sands to dolomite granules, the H2 volume fraction significantly increased and the hydrogen supplement amount required for methanol synthesis reduced. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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Review

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20 pages, 3979 KiB  
Review
Heteroatom Doping of Transition Metallic Compounds for Water Electrolysis
by Xiaoyan Zhang, Xueqing Pan, Xiaoyi Wu, Yufang Xie, Yin Yin and Xinchun Yang
Energies 2025, 18(16), 4223; https://doi.org/10.3390/en18164223 - 8 Aug 2025
Viewed by 244
Abstract
With high storage capacity and zero emissions, hydrogen energy stands as a favorable replacement for fossil fuels. Therefore, earth-abundant electrocatalysts have attracted significant research interest. Particularly, a heteroatom doping strategy demonstrated exceptional capability in precisely modulating the electronic structure of transition metal-based catalysts [...] Read more.
With high storage capacity and zero emissions, hydrogen energy stands as a favorable replacement for fossil fuels. Therefore, earth-abundant electrocatalysts have attracted significant research interest. Particularly, a heteroatom doping strategy demonstrated exceptional capability in precisely modulating the electronic structure of transition metal-based catalysts while optimizing their local coordination environments, thereby representing a new paradigm for intrinsic catalytic activity enhancement. This review provides a systematic overview of recent advances in heteroatom doping strategies for transition metal catalysts. It is particularly focused on elucidating the fundamental mechanisms through atom dopants, which can efficiently regulate electronic configurations and catalytic behavior. By comprehensively analyzing structure–activity relationships and underlying catalytic principles, this work will establish a framework for precise doping strategies to engineer high-performance electrocatalysts. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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52 pages, 15559 KiB  
Review
A Review on Catalytic Hydrolysis of Ammonia Borane for Hydrogen Production
by Qingqing Liu, Weizhao Ran, Wenfei Bao and Yuzhong Li
Energies 2025, 18(5), 1105; https://doi.org/10.3390/en18051105 - 24 Feb 2025
Cited by 1 | Viewed by 1902
Abstract
Ammonia borane (NH3BH3, AB) is recognized as a promising hydrogen carrier due to its high hydrogen storage density (146 gL−1, mass fraction 19.6%), safety, non-toxicity, and high chemical stability. The hydrolysis of AB has also become a [...] Read more.
Ammonia borane (NH3BH3, AB) is recognized as a promising hydrogen carrier due to its high hydrogen storage density (146 gL−1, mass fraction 19.6%), safety, non-toxicity, and high chemical stability. The hydrolysis of AB has also become a research hotspot in recent years and offers a viable route for hydrogen production. However, the practical application of AB hydrolysis encounters substantial challenges, including undefined catalytic mechanisms, suboptimal catalytic performance, and intricate issues in AB regeneration. Thus, elucidating catalytic mechanisms, developing highly efficient catalysts, and exploring effective regeneration methods for NH3BH3 are critical and urgent. This paper delves into the catalytic hydrolysis process of AB, detailing the mechanisms involved, and simplifies the steps that affect AB hydrolysis activity into the adsorption, activation, dissociation of reactants, and the formation and desorption of H2. It discusses the structural characteristics of metal catalysts used in recent studies, assessing their performance through metrics such as turnover frequency (TOF), activation energy (Ea), and reusability. On this basis, this paper conducts a relatively comprehensive analysis and summary of the strategies for optimizing the performance of AB hydrolysis catalysts, including three aspects, focusing on optimizing the number and dispersion of active centers, enhancing reactant adsorption and activation, and facilitating hydrogen desorption. In addition, it also addresses strategies for controlled hydrogen release during AB hydrolysis and methods for regenerating AB from spent solutions. Finally, corresponding conclusions and prospects are proposed, to provide a certain reference for the subsequent development of safe and efficient catalysts and research on the catalytic mechanism of AB hydrolysis. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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