Pub Date : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.032
Xiaomeng Guo , Zhiyuan Zhang , Kunting Li , Yilian Liu , Xinwei Zhang , Lei Xu , Baiyan Li
Developing of advanced heterojunction photocatalysts with high electron-hole separation efficiency and matching band locations is critical for photocatalytic hydrogen production. Herein, a novel S-scheme heterojunction Ni3(HITP)2/Ti1-xO2 combined titanium vacancy titanium dioxide (Ti1-xO2) with 2D conductive MOF Ni3(HITP)2 can address this challenge. Ti1-xO2, whose band gap value is 0.35 eV smaller than that of TiO2, introduces shallow acceptor levels to make the material appear as a P-type semiconductor. SPV tests, in-situ XPS, active species capture experiments, and band structure characterization proved the existence of S-scheme heterojunction, which greatly promoted the compound of ineffective photoexcited carriers. The H2 generation rate of 4 wt% Ni3(HITP)2/Ti1-xO2-2 under solar light is 3.52 mmol/h/g, which is 8.2 times and 2.5 times of TiO2 and Ti1-xO2. This study offers a consult for the devise of conductive MOF-based S-scheme heterojunction photocatalyst for H2 production.
{"title":"Conductive MOF/defect titanium dioxide S-scheme heterojunction with enhanced charge transfer for efficient photocatalytic hydrogen generation","authors":"Xiaomeng Guo , Zhiyuan Zhang , Kunting Li , Yilian Liu , Xinwei Zhang , Lei Xu , Baiyan Li","doi":"10.1016/j.ijhydene.2025.04.032","DOIUrl":"10.1016/j.ijhydene.2025.04.032","url":null,"abstract":"<div><div>Developing of advanced heterojunction photocatalysts with high electron-hole separation efficiency and matching band locations is critical for photocatalytic hydrogen production. Herein, a novel S-scheme heterojunction Ni<sub>3</sub>(HITP)<sub>2</sub>/Ti<sub>1-x</sub>O<sub>2</sub> combined titanium vacancy titanium dioxide (Ti<sub>1-x</sub>O<sub>2</sub>) with 2D conductive MOF Ni<sub>3</sub>(HITP)<sub>2</sub> can address this challenge. Ti<sub>1-x</sub>O<sub>2</sub>, whose band gap value is 0.35 eV smaller than that of TiO<sub>2</sub>, introduces shallow acceptor levels to make the material appear as a P-type semiconductor. SPV tests, in-situ XPS, active species capture experiments, and band structure characterization proved the existence of S-scheme heterojunction, which greatly promoted the compound of ineffective photoexcited carriers. The H<sub>2</sub> generation rate of 4 wt% Ni<sub>3</sub>(HITP)<sub>2</sub>/Ti<sub>1-x</sub>O<sub>2</sub>-2 under solar light is 3.52 mmol/h/g, which is 8.2 times and 2.5 times of TiO<sub>2</sub> and Ti<sub>1-x</sub>O<sub>2</sub>. This study offers a consult for the devise of conductive MOF-based S-scheme heterojunction photocatalyst for H<sub>2</sub> production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 665-673"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847722","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}
This work demonstrates the porous barnacle-like structure of NiCuP, which is co-electrodeposited on the nickel foam (NiCu/Ni foam) and does the phosphorization in a short time. Only the structure's surface can find phosphorus, which remains the conductivity of the nickel-copper and the porous structure (NiCuP-200/Ni foam). The catalysts show the overpotential of 250 mV for oxygen evolution reaction (OER) at the current density of 10 mA cm−2. The cell using the NiCuP-200/Ni foam as the anode for the water electrolysis shows a highly consistent current density of about 180 mA cm−2 at the cell potential of 1.8 V during 100 h operation. The phosphorization on the catalysts' surface helps the OER's activity. NiCuP-200/Ni foam remains porous after phosphorization, showing a high electrochemical surface area and low electrotransfer resistance.
{"title":"Electrodeposited barnacle-like phosphorized nickel–copper porous catalysts for oxygen evolution reaction","authors":"Hsueh-Yu Chen , Guan-Cheng Chen , Hsin-Chih Huang , Chen-Hao Wang","doi":"10.1016/j.ijhydene.2025.04.266","DOIUrl":"10.1016/j.ijhydene.2025.04.266","url":null,"abstract":"<div><div>This work demonstrates the porous barnacle-like structure of NiCuP, which is co-electrodeposited on the nickel foam (NiCu/Ni foam) and does the phosphorization in a short time. Only the structure's surface can find phosphorus, which remains the conductivity of the nickel-copper and the porous structure (NiCuP-200/Ni foam). The catalysts show the overpotential of 250 mV for oxygen evolution reaction (OER) at the current density of 10 mA cm<sup>−2</sup>. The cell using the NiCuP-200/Ni foam as the anode for the water electrolysis shows a highly consistent current density of about 180 mA cm<sup>−2</sup> at the cell potential of 1.8 V during 100 h operation. The phosphorization on the catalysts' surface helps the OER's activity. NiCuP-200/Ni foam remains porous after phosphorization, showing a high electrochemical surface area and low electrotransfer resistance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 740-748"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847723","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 : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.116
K. Mitländer , J. Henseler , F. Rullo , P. Nathrath , M. Geißelbrecht , P. Wasserscheid , P. Schühle
Benzyltoluene is an attractive liquid organic hydrogen carrier (LOHC) compound but needs to be purified after its technical synthesis to remove chloride impurities that would harm the Pt-based hydrogenation and dehydrogenation catalysts used for the reversible LOHC loading and unloading with hydrogen. For this purpose the dechlorination of chlorobenzyltoluene in a benzyltoluene matrix was studied in a continuously operated trickle bed reactor using a commercially available nickel catalyst. The results indicate that the removal of chlorobenzyltoluene is mainly adsorption based. Rapid aging experiments with purposely added chloroaromatic compounds (chlorobenzene and chloronaphthalene) in quantities of up to 9000 ppm suggest that high chloroaromatic loadings lead to reduced dechlorination activity due to a rapid blocking of active sites. The dechlorination capacity per gram of the used catalyst material was determined to be in the range of 2 kg of technical benzyltoluene.
{"title":"Continuous (hydro-)dechlorination of aromatic chloride compounds in benzyltoluene","authors":"K. Mitländer , J. Henseler , F. Rullo , P. Nathrath , M. Geißelbrecht , P. Wasserscheid , P. Schühle","doi":"10.1016/j.ijhydene.2025.04.116","DOIUrl":"10.1016/j.ijhydene.2025.04.116","url":null,"abstract":"<div><div>Benzyltoluene is an attractive liquid organic hydrogen carrier (LOHC) compound but needs to be purified after its technical synthesis to remove chloride impurities that would harm the Pt-based hydrogenation and dehydrogenation catalysts used for the reversible LOHC loading and unloading with hydrogen. For this purpose the dechlorination of chlorobenzyltoluene in a benzyltoluene matrix was studied in a continuously operated trickle bed reactor using a commercially available nickel catalyst. The results indicate that the removal of chlorobenzyltoluene is mainly adsorption based. Rapid aging experiments with purposely added chloroaromatic compounds (chlorobenzene and chloronaphthalene) in quantities of up to 9000 ppm suggest that high chloroaromatic loadings lead to reduced dechlorination activity due to a rapid blocking of active sites. The dechlorination capacity per gram of the used catalyst material was determined to be in the range of 2 kg of technical benzyltoluene.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 674-683"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847724","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 : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.275
Kavin Ravichandran , Pasquale Daniele Cavaliere
The storage of liquid hydrogen (LH2) in stationary tanks poses significant challenges due to boil-off gas (BOG) losses caused by heat ingress from the external environment. This study aimed to analyze the boil-off rate (BoR) of an LH2 tank across four different seasons summer, winter, autumn and spring using daily temperature profiles to examine seasonal variations in heat transfer and their impact on hydrogen losses. A stationary LH2 tank with a volume of 5.6 m3 with multilayer insulation (MLI) and high vacuum conditions was modeled to simulate heat ingress and resulting BoR. Temperature data spanning 24 h of selective day for each season were collected and analyzed using time-series analysis, a statistical technique for examining and forecasting non-stationary data trends over time converted to a dataset. Historical temperature data were leveraged to predict seasonal variations in heat ingress and BOG generation. Additionally, the system was modeled and simulated using the software Ansys Twin Builder to accurately replicate the dynamic behavior of the tank under varying thermal conditions. An LH2 tank is modeled using Python language and then interfaced with the twin builder and for the BOG collection tank the Modelica's vessel component is used.
The simulations demonstrated that the BoR exhibited significant fluctuations across the seasons, with the highest rates observed during summer due to increased ambient temperatures and reduced during winter due to lower thermal gradients. Spring and autumn(fall) showed intermediate BoR values, influenced by moderate temperature variations. The time-series analysis provided precise insights into the daily patterns of temperature-driven boil-off, validating the predictive capability of the model. The developed model successfully quantified the impact of seasonal temperature variations on LH2 boil-off in stationary tanks, offering a robust tool for optimizing insulation strategies and BOG management. The findings underscored the importance of Thermal Management Systems (TMS) for minimizing hydrogen losses in the future, thereby enhancing the viability of LH2 tanks in airport fuel for hydrogen-powered aircraft.
{"title":"Seasonal analysis of boil-off gas rates in liquid hydrogen storage tank using time-series analysis","authors":"Kavin Ravichandran , Pasquale Daniele Cavaliere","doi":"10.1016/j.ijhydene.2025.04.275","DOIUrl":"10.1016/j.ijhydene.2025.04.275","url":null,"abstract":"<div><div>The storage of liquid hydrogen (LH<sub>2</sub>) in stationary tanks poses significant challenges due to boil-off gas (BOG) losses caused by heat ingress from the external environment. This study aimed to analyze the boil-off rate (BoR) of an LH<sub>2</sub> tank across four different seasons summer, winter, autumn and spring using daily temperature profiles to examine seasonal variations in heat transfer and their impact on hydrogen losses. A stationary LH<sub>2</sub> tank with a volume of 5.6 m<sup>3</sup> with multilayer insulation (MLI) and high vacuum conditions was modeled to simulate heat ingress and resulting BoR. Temperature data spanning 24 h of selective day for each season were collected and analyzed using time-series analysis, a statistical technique for examining and forecasting non-stationary data trends over time converted to a dataset. Historical temperature data were leveraged to predict seasonal variations in heat ingress and BOG generation. Additionally, the system was modeled and simulated using the software Ansys Twin Builder to accurately replicate the dynamic behavior of the tank under varying thermal conditions. An LH<sub>2</sub> tank is modeled using Python language and then interfaced with the twin builder and for the BOG collection tank the Modelica's vessel component is used.</div><div>The simulations demonstrated that the BoR exhibited significant fluctuations across the seasons, with the highest rates observed during summer due to increased ambient temperatures and reduced during winter due to lower thermal gradients. Spring and autumn(fall) showed intermediate BoR values, influenced by moderate temperature variations. The time-series analysis provided precise insights into the daily patterns of temperature-driven boil-off, validating the predictive capability of the model. The developed model successfully quantified the impact of seasonal temperature variations on LH<sub>2</sub> boil-off in stationary tanks, offering a robust tool for optimizing insulation strategies and BOG management. The findings underscored the importance of Thermal Management Systems (TMS) for minimizing hydrogen losses in the future, thereby enhancing the viability of LH<sub>2</sub> tanks in airport fuel for hydrogen-powered aircraft.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 725-731"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847725","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 : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.149
S.E. Shcheklein, A.M. Dubinin, K.S. Iuzbashieva
Hydrogen is an efficient energy carrier for heat and power technologies and electrochemical sources of electric current. The proposed technology eliminates the need for storage and transportation of hydrogen, and provides its production in the amount necessary for direct use at power plants. This article considers the possibility of using alkali metals as the most effective method of hydrogen production by reaction with water. The reaction product (alkali) is repeatedly reduced to pure metal by electrolysis at the expense of energy (during the period of night power failure of TPPs and NPPs) or at the expense of RES energy during the period of its natural availability (HPPs, PV plant, WPPs).
Calculated studies have shown that the process of water reduction by alkali metals is exothermic with the release of heat of high thermodynamic potential, which allows along with the direct conversion of hydrogen into electrical energy using fuel cells to realize additional production of electrical energy on the basis of thermodynamic Rankine or Brayton cycles.
{"title":"Hydrogen production and hybrid use of alkali metals in power generation and electric energy storage technologies using an electrochemical generator and gas turbine installation","authors":"S.E. Shcheklein, A.M. Dubinin, K.S. Iuzbashieva","doi":"10.1016/j.ijhydene.2025.04.149","DOIUrl":"10.1016/j.ijhydene.2025.04.149","url":null,"abstract":"<div><div>Hydrogen is an efficient energy carrier for heat and power technologies and electrochemical sources of electric current. The proposed technology eliminates the need for storage and transportation of hydrogen, and provides its production in the amount necessary for direct use at power plants. This article considers the possibility of using alkali metals as the most effective method of hydrogen production by reaction with water. The reaction product (alkali) is repeatedly reduced to pure metal by electrolysis at the expense of energy (during the period of night power failure of TPPs and NPPs) or at the expense of RES energy during the period of its natural availability (HPPs, PV plant, WPPs).</div><div>Calculated studies have shown that the process of water reduction by alkali metals is exothermic with the release of heat of high thermodynamic potential, which allows along with the direct conversion of hydrogen into electrical energy using fuel cells to realize additional production of electrical energy on the basis of thermodynamic Rankine or Brayton cycles.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 732-739"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847775","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 : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.108
Haosheng Guo , Gongbing Bi , Muhammad Ali Aziz , Liu Wei
This study aims to examine the role of smart manufacturing in improving utility service efficiency and sustainability. It explores the link between bio-electricity expansion, agricultural output, and renewable energy goals. Utilizing an applied general equilibrium model, the research investigates the role of biomass and multi-product crops derived from agricultural and forestry waste in advancing climate policy. The findings reveal that up to 3 % of China's total electricity could be sourced from multi-product energy crops. However, the expansion of bioelectricity is heavily dependent on dedicated biomass cultivation, which introduces land-use challenges. The model projects that under the most intensive bioenergy scenario, agricultural output could decline by 5 %, accompanied by a similar increase in food prices. Furthermore, approximately 250,000 ha of arable land may shift toward forest and willow plantations. Policymakers should prioritize investments in smart manufacturing technologies to enhance the sustainability of utility services. Integrating bio-electricity with agricultural systems can drive renewable energy growth while supporting rural economies. Policies must encourage cross-sector innovation and provide incentives for cleaner energy transitions.
{"title":"Enhancing efficiency and sustainability in essential utility services through smart manufacturing: Analysis of bio-electricity expension, agricultural output and renewable energy goals","authors":"Haosheng Guo , Gongbing Bi , Muhammad Ali Aziz , Liu Wei","doi":"10.1016/j.ijhydene.2025.04.108","DOIUrl":"10.1016/j.ijhydene.2025.04.108","url":null,"abstract":"<div><div>This study aims to examine the role of smart manufacturing in improving utility service efficiency and sustainability. It explores the link between bio-electricity expansion, agricultural output, and renewable energy goals. Utilizing an applied general equilibrium model, the research investigates the role of biomass and multi-product crops derived from agricultural and forestry waste in advancing climate policy. The findings reveal that up to 3 % of China's total electricity could be sourced from multi-product energy crops. However, the expansion of bioelectricity is heavily dependent on dedicated biomass cultivation, which introduces land-use challenges. The model projects that under the most intensive bioenergy scenario, agricultural output could decline by 5 %, accompanied by a similar increase in food prices. Furthermore, approximately 250,000 ha of arable land may shift toward forest and willow plantations. Policymakers should prioritize investments in smart manufacturing technologies to enhance the sustainability of utility services. Integrating bio-electricity with agricultural systems can drive renewable energy growth while supporting rural economies. Policies must encourage cross-sector innovation and provide incentives for cleaner energy transitions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 713-724"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847719","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 : 2025-04-19DOI: 10.1016/j.ijhydene.2025.04.092
Chou-Yi Hsu , Ali B.M. Ali , Zainab H. Jamal , Mustafa Mudhafar , Hasan Ali Alsailawi , Dilsora Abduvalieva , A.M.A. Mohamed , S.K. Adil , Hamad M. Alkahtani , Ibrahm Mahariq
This present study investigates the electrocatalytic activity of transition metal-functionalized TaB6 hexagonal bipyramidal boron cluster (M -TaB6: M = Ta, Hf, Ir, Re, W) systems for hydrogen evolution reaction (HER) within the framework of density functional theory (DFT) at the PBE-D3/GenECP/Def2-SVP/LanL2DZ computational method. The study concludes that transition metal modifications significantly contribute to hydrogen chemisorption and catalytic efficiency. Most significantly, Re-TaB6 (−0.765 eV) and W–TaB6 (−0.768 eV) hexagonal bipyramidal surfaces possess nearly ideal Gibbs free energy () for HER, indicating excellent catalytic activity. Calculation of adsorption energy further reveals Hf-TaB6 (−0.829 eV) and B6 (−0.587 eV) with the highest hydrogen interaction, favoring strong chemisorption behavior. The study highlights how transition metal doping enhances catalytic activity by stabilizing hydrogen adsorption and breaking, optimizing the efficiency of HER.
本研究在密度泛函理论（DFT）框架内，采用 PBE-D3/GenECP/Def2-SVP/LanL2DZ 计算方法，研究了过渡金属功能化的 TaB6 六方双锥硼簇（M -TaB6：M = Ta、Hf、Ir、Re、W）体系在氢气进化反应（HER）中的电催化活性。研究得出结论，过渡金属修饰对氢的化学吸附和催化效率有显著的促进作用。最重要的是，Re-TaB6（-0.765 eV）和 W-TaB6（-0.768 eV）六角双锥体表面对 HER 具有近乎理想的吉布斯自由能 (ΔGH)，这表明它们具有出色的催化活性。对吸附能的计算进一步表明，Hf-TaB6（-0.829 eV）和 B6（-0.587 eV）具有最高的氢相互作用，有利于强烈的化学吸附行为。该研究强调了过渡金属掺杂如何通过稳定氢吸附和断裂来增强催化活性，从而优化 HER 的效率。
{"title":"Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study","authors":"Chou-Yi Hsu , Ali B.M. Ali , Zainab H. Jamal , Mustafa Mudhafar , Hasan Ali Alsailawi , Dilsora Abduvalieva , A.M.A. Mohamed , S.K. Adil , Hamad M. Alkahtani , Ibrahm Mahariq","doi":"10.1016/j.ijhydene.2025.04.092","DOIUrl":"10.1016/j.ijhydene.2025.04.092","url":null,"abstract":"<div><div>This present study investigates the electrocatalytic activity of transition metal-functionalized TaB<sub>6</sub> hexagonal bipyramidal boron cluster (M -TaB<sub>6</sub>: M = Ta, Hf, Ir, Re, W) systems for hydrogen evolution reaction (HER) within the framework of density functional theory (DFT) at the PBE-D3/GenECP/Def2-SVP/LanL2DZ computational method. The study concludes that transition metal modifications significantly contribute to hydrogen chemisorption and catalytic efficiency. Most significantly, Re-TaB<sub>6</sub> (−0.765 eV) and W–TaB<sub>6</sub> (−0.768 eV) hexagonal bipyramidal surfaces possess nearly ideal Gibbs free energy (<span><math><mrow><msub><mrow><mo>Δ</mo><mi>G</mi></mrow><mi>H</mi></msub></mrow></math></span>) for HER, indicating excellent catalytic activity. Calculation of adsorption energy further reveals Hf-TaB<sub>6</sub> (−0.829 eV) and B<sub>6</sub> (−0.587 eV) with the highest hydrogen interaction, favoring strong chemisorption behavior. The study highlights how transition metal doping enhances catalytic activity by stabilizing hydrogen adsorption and breaking, optimizing the efficiency of HER.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"127 ","pages":"Pages 912-929"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847594","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}
In this paper, a mathematical model is developed, combining thermodynamic and electrochemical models. It was used to study the effect of operating parameters, such as membrane thickness and operating temperature on the performance of PEM electrolzer cell. The effect of ion diffusion through the membrane on the cell potential was also studied. In addition, an analyze of energy and exergy efficiencies is carried out by studying the variation in electrical energy required to operate the PEM electrolyzer cell. This is directly proportional to the efficiencies. Moreover, a thermal energy due to heat produced by overpotentials is analyzed for different parameters. Comparing the two scenario (with and without diffusion), the results show that the diffusion overpotential increases with current density and leads to higher cell potential, which therfore requires more electricity to operate the electrolyzer. As results, the efficiency of the electrolyzer decreases, as more energy is required to overcome these overpotentials, and additional irreversible heat losses generated.
{"title":"Electrochemical and thermodynamic modeling of PEM electrolyzer performance: A comparative study with and without diffusion overpotential","authors":"Sirine Saidi , Taoufik Brahim , Oussama Rejeb , Abdelmajid Jemni","doi":"10.1016/j.ijhydene.2025.04.182","DOIUrl":"10.1016/j.ijhydene.2025.04.182","url":null,"abstract":"<div><div>In this paper, a mathematical model is developed, combining thermodynamic and electrochemical models. It was used to study the effect of operating parameters, such as membrane thickness and operating temperature on the performance of PEM electrolzer cell. The effect of ion diffusion through the membrane on the cell potential was also studied. In addition, an analyze of energy and exergy efficiencies is carried out by studying the variation in electrical energy required to operate the PEM electrolyzer cell. This is directly proportional to the efficiencies. Moreover, a thermal energy due to heat produced by overpotentials is analyzed for different parameters. Comparing the two scenario (with and without diffusion), the results show that the diffusion overpotential increases with current density and leads to higher cell potential, which therfore requires more electricity to operate the electrolyzer. As results, the efficiency of the electrolyzer decreases, as more energy is required to overcome these overpotentials, and additional irreversible heat losses generated.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 697-712"},"PeriodicalIF":8.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847552","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 : 2025-04-18DOI: 10.1016/j.ijhydene.2025.04.139
Hongmei Cai , Bang Dou , Lufeng Xue , Bo Cheng , Yumeng Zhao , Di Wan , Yunfei Xue
Ti–Cr–Mo-based multi-principal element alloys have emerged as promising candidates for hydrogen storage due to their high capacity and cost-effectiveness. However, their practical application is limited by challenges such as low reversible hydrogen release and poor cyclic stability. In this study, we developed a body-centered cubic (BCC) alloy, Ti40Cr48Mo10Fe2, which demonstrates a reversible capacity of 2.59 wt% at 303 K. The doping of Fe reduces the dehydrogenation enthalpy ΔH to 32.4 kJ/mol, which is notably more favorable than that of most other reported Ti–Cr–Mo-based alloys. Additionally, the mechanism of capacity attenuation was explored. The results reveal that hydrogen-induced phase transformation leads to the accumulation of stress and strain, which increases the energy barrier for hydrogen diffusion and release. Moreover, the formation of irreversible Ti hydrides plays a key role in capacity loss. These findings offer strategies for developing hydrogen storage alloys with long service life and reduced costs.
{"title":"Engineering Ti–Cr–Mo-based alloys for hydrogen storage: Fe doping as a strategy for improved reversibility and stability","authors":"Hongmei Cai , Bang Dou , Lufeng Xue , Bo Cheng , Yumeng Zhao , Di Wan , Yunfei Xue","doi":"10.1016/j.ijhydene.2025.04.139","DOIUrl":"10.1016/j.ijhydene.2025.04.139","url":null,"abstract":"<div><div>Ti–Cr–Mo-based multi-principal element alloys have emerged as promising candidates for hydrogen storage due to their high capacity and cost-effectiveness. However, their practical application is limited by challenges such as low reversible hydrogen release and poor cyclic stability. In this study, we developed a body-centered cubic (BCC) alloy, Ti<sub>40</sub>Cr<sub>48</sub>Mo<sub>10</sub>Fe<sub>2</sub>, which demonstrates a reversible capacity of 2.59 wt% at 303 K. The doping of Fe reduces the dehydrogenation enthalpy ΔH to 32.4 kJ/mol, which is notably more favorable than that of most other reported Ti–Cr–Mo-based alloys. Additionally, the mechanism of capacity attenuation was explored. The results reveal that hydrogen-induced phase transformation leads to the accumulation of stress and strain, which increases the energy barrier for hydrogen diffusion and release. Moreover, the formation of irreversible Ti hydrides plays a key role in capacity loss. These findings offer strategies for developing hydrogen storage alloys with long service life and reduced costs.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"128 ","pages":"Pages 499-510"},"PeriodicalIF":8.1,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843385","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 : 2025-04-18DOI: 10.1016/j.ijhydene.2025.04.257
Joel Löfving , Selma Brynolf , Maria Grahn
Using hydrogen as a fuel is one option to reduce impact on climate and environment from heavy-duty road transportation. However, the deployment of a hydrogen refueling network is a major bottleneck. To facilitate this development, it is crucial to better understand appropriate location and sizing of hydrogen refueling stations (HRS). We present a bottom-up, geographically detailed model for simulating energy demand from long-haul hydrogen trucks and determining locations and sizes of HRSs, across all of Europe under different scenarios in 2050. The model, called SVENG, calculates weighted energy demand for network links, considering specific local conditions on each link along the route. These are used by a search algorithm for distributing demand along individual routes and simulate HRS locations and sizes. The model scales linearly, supporting large networks; for this study using 0.6 million rows of origin-destination cargo flow data on a network of 17,000 nodes. We show that the model's novel functionality for calculating dynamic vehicle power requirements has a large impact on the distribution of fuel demand and required refueling infrastructure. Results are compared to the Alternative Fuels Infrastructure Regulation (AFIR) for 2030, showing that this legislation might require more HRS than necessary even in 2050 in some countries, unless vehicle sales increase rapidly. Other countries may need to deploy more capacity by 2050 even at lower rates of adoption.
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