International Journal of Hydrogen Energy最新文献

英文中文

Surface defect engineering in Mo-doped ReS2/CoS2 heterostructure catalysts for enhanced electrocatalytic water splitting

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.466

Zhengqiang Zhao, Yanhui Lu, Xu Yu

Designing efficient electrocatalysts with heterostructure is crucial for enhancing electrocatalytic performance due to their strong interaction at the interface. Herein, the vertical growth of Mo-doped ReS₂ on MOF-derived cobalt disulfides is constructed on the surface of carbon fiber paper (Mo-ReS₂/CoS₂/CFP) via the sulfidation and hydrothermal treatments. Elemental Mo doping in ReS₂ not only modifies the electronic structure of ReS₂, but also facilitates charge redistribution to improve the electrical conductivity and boost the catalytic active sites during the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) process. The presence of Mo doping increases the number of active sites, resulting in the improved overall catalytic efficiency. Meanwhile, the formation of heterostructure can strengthen the bond interaction at the interface to improve the catalytic durability of the catalyst. The overall mechanism of enhanced performance is attributed to the optimized electronic properties and enhanced charge transfer, which is crucial for high-efficiency electrochemical reactions. Mo-ReS₂/CoS₂/CFP exhibits the lowest overpotential of 78 and 249 mV at 10 mA cm⁻² for the HER and OER process in alkaline electrolyte. The exceptional catalytic activities have been further confirmed by the low Tafel slope with the Volmer-Heyrovsky mechanism, small charge transfer resistance, and good catalytic durability. This work provides a promising concept for constructing the ReS₂-based heterostructure as an advanced electrocatalyst for hydrogen production.

{"title":"Surface defect engineering in Mo-doped ReS2/CoS2 heterostructure catalysts for enhanced electrocatalytic water splitting","authors":"Zhengqiang Zhao, Yanhui Lu, Xu Yu","doi":"10.1016/j.ijhydene.2025.02.466","DOIUrl":"10.1016/j.ijhydene.2025.02.466","url":null,"abstract":"<div><div>Designing efficient electrocatalysts with heterostructure is crucial for enhancing electrocatalytic performance due to their strong interaction at the interface. Herein, the vertical growth of Mo-doped ReS<sub>2</sub> on MOF-derived cobalt disulfides is constructed on the surface of carbon fiber paper (Mo-ReS<sub>2</sub>/CoS<sub>2</sub>/CFP) via the sulfidation and hydrothermal treatments. Elemental Mo doping in ReS<sub>2</sub> not only modifies the electronic structure of ReS<sub>2</sub>, but also facilitates charge redistribution to improve the electrical conductivity and boost the catalytic active sites during the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) process. The presence of Mo doping increases the number of active sites, resulting in the improved overall catalytic efficiency. Meanwhile, the formation of heterostructure can strengthen the bond interaction at the interface to improve the catalytic durability of the catalyst. The overall mechanism of enhanced performance is attributed to the optimized electronic properties and enhanced charge transfer, which is crucial for high-efficiency electrochemical reactions. Mo-ReS<sub>2</sub>/CoS<sub>2</sub>/CFP exhibits the lowest overpotential of 78 and 249 mV at 10 mA cm<sup>−2</sup> for the HER and OER process in alkaline electrolyte. The exceptional catalytic activities have been further confirmed by the low Tafel slope with the Volmer-Heyrovsky mechanism, small charge transfer resistance, and good catalytic durability. This work provides a promising concept for constructing the ReS<sub>2</sub>-based heterostructure as an advanced electrocatalyst for hydrogen production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"114 ","pages":"Pages 152-160"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563784","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

A strategy to promote hydrogen storage performance of porous carbon materials: Enriching micropore structure through mechanical pressure-assisted activation

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.444

Xue Gao, Yuchen Mao, Zeming Zhong, Liangjun Huang, Hui Wang, Min Zhu

Porous carbon materials (PCMs) with high specific surface area (SSA) exhibit significant potential for hydrogen storage applications but are severely limited due to the weak interactions of H₂. In this work, polyvinylpyrrolidone (PVP) was employed to prepare PCMs with ultra-high SSA and high micropore ratio through applying mechanical pressure before activation. This approach resulted in an SSA exceeding 3100 m²/g and a maximum S_BET/S_Micro ratio above 90%. The increased microporosity significantly improved hydrogen storage performance, with a 62% increase in hydrogen uptake capacity per SSA at 77 K and 50 bar-H₂, suggesting the strengthened interaction between PCMs and H₂. This is further supported by the increased isosteric heat of hydrogen adsorption (Q_st) values from 6.93 to 7.56 kJ/mol at near-zero hydrogen coverage, with S_Micro/S_BET increasing from 75.86% to 90.83%. Moreover, the increased microporosity enhances the volumetric and usable hydrogen storage capacity. Remarkably, the PCM with 84.35% microporosity and high SSA of 3116.58 m²/g exhibits a hydrogen uptake of 6.10 wt% (26.47 g/L) at 77 K under 50 bar-H₂, and retains 1.26 wt% (5.52 g/L) even at 298 K and 130 bar-H₂. This study provides a valuable reference for the large-scale preparation of PCMs with high SSA and microporosity for hydrogen storage.

{"title":"A strategy to promote hydrogen storage performance of porous carbon materials: Enriching micropore structure through mechanical pressure-assisted activation","authors":"Xue Gao, Yuchen Mao, Zeming Zhong, Liangjun Huang, Hui Wang, Min Zhu","doi":"10.1016/j.ijhydene.2025.02.444","DOIUrl":"10.1016/j.ijhydene.2025.02.444","url":null,"abstract":"<div><div>Porous carbon materials (PCMs) with high specific surface area (SSA) exhibit significant potential for hydrogen storage applications but are severely limited due to the weak interactions of H<sub>2</sub>. In this work, polyvinylpyrrolidone (PVP) was employed to prepare PCMs with ultra-high SSA and high micropore ratio through applying mechanical pressure before activation. This approach resulted in an SSA exceeding 3100 m<sup>2</sup>/g and a maximum S<sub>BET</sub>/S<sub>Micro</sub> ratio above 90%. The increased microporosity significantly improved hydrogen storage performance, with a 62% increase in hydrogen uptake capacity per SSA at 77 K and 50 bar-H<sub>2</sub>, suggesting the strengthened interaction between PCMs and H<sub>2</sub>. This is further supported by the increased isosteric heat of hydrogen adsorption (Q<sub>st</sub>) values from 6.93 to 7.56 kJ/mol at near-zero hydrogen coverage, with S<sub>Micro</sub>/S<sub>BET</sub> increasing from 75.86% to 90.83%. Moreover, the increased microporosity enhances the volumetric and usable hydrogen storage capacity. Remarkably, the PCM with 84.35% microporosity and high SSA of 3116.58 m<sup>2</sup>/g exhibits a hydrogen uptake of 6.10 wt% (26.47 g/L) at 77 K under 50 bar-H<sub>2</sub>, and retains 1.26 wt% (5.52 g/L) even at 298 K and 130 bar-H<sub>2</sub>. This study provides a valuable reference for the large-scale preparation of PCMs with high SSA and microporosity for hydrogen storage.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"113 ","pages":"Pages 730-739"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552398","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

A low Ir loading Inverse opal self-supporting electrode for efficient and durable PEM water electrolysis

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.03.041

Zhiyang Wang , Hongmei Yu , Jingchen Na , Jun Chi , Senyuan Jia , Jiaxin Li , Zhigang Shao

Reducing the expenditure on noble Ir is crucial for the industrial application of proton exchange membrane water electrolysis (PEMWE). In this work, an ordered array electrode prepared by the electrodeposition of Ru and Ir at Inverse Opal (IO) structure decorated Ti felt (Ir@RuO₂ IO/Ti felt-300 nm) is provided as the anode of PEMWE, which exhibited an enlarged electrochemically active surface area and a state-of-the-art Ir loading of 0.0841 mg _Ir cm⁻². Thus, the electrolyzer fabricated by the as-prepared electrode reached large current densities of 1 A cm⁻² and 3 A cm⁻² at 1.64 V and 2.02 V during PEMWE, respectively. Furthermore, enabled by the Ir@RuO₂ core-shell structure which can modulate the electronic microenvironment and prevent excessive oxidation dissolution of active metal sites, the PEMWE electrolyzer presented enhanced durability and drove the constant cell voltage PEMWE at 1 A cm⁻² for 250 h. This work offers a cost-effective strategy to minimize Ir reliance while advancing PEMWE efficiency and longevity.

{"title":"A low Ir loading Inverse opal self-supporting electrode for efficient and durable PEM water electrolysis","authors":"Zhiyang Wang , Hongmei Yu , Jingchen Na , Jun Chi , Senyuan Jia , Jiaxin Li , Zhigang Shao","doi":"10.1016/j.ijhydene.2025.03.041","DOIUrl":"10.1016/j.ijhydene.2025.03.041","url":null,"abstract":"<div><div>Reducing the expenditure on noble Ir is crucial for the industrial application of proton exchange membrane water electrolysis (PEMWE). In this work, an ordered array electrode prepared by the electrodeposition of Ru and Ir at Inverse Opal (IO) structure decorated Ti felt (Ir@RuO<sub>2</sub> IO/Ti felt-300 nm) is provided as the anode of PEMWE, which exhibited an enlarged electrochemically active surface area and a state-of-the-art Ir loading of 0.0841 mg <sub>Ir</sub> cm<sup>−2</sup>. Thus, the electrolyzer fabricated by the as-prepared electrode reached large current densities of 1 A cm<sup>−2</sup> and 3 A cm<sup>−2</sup> at 1.64 V and 2.02 V during PEMWE, respectively. Furthermore, enabled by the Ir@RuO<sub>2</sub> core-shell structure which can modulate the electronic microenvironment and prevent excessive oxidation dissolution of active metal sites, the PEMWE electrolyzer presented enhanced durability and drove the constant cell voltage PEMWE at 1 A cm<sup>−2</sup> for 250 h. This work offers a cost-effective strategy to minimize Ir reliance while advancing PEMWE efficiency and longevity.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"114 ","pages":"Pages 97-105"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143547865","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

Corrosion resistant and conductive amorphous carbon/Ti coatings on stainless steel bipolar plates prepared by filtered cathodic vacuum arc system

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.461

Quanxian Zu , Changhai Mao , Jiacheng Zhang , Tianju Chen , Jingjing Wang , Xun Ma , Ping Liu , Baosen Mi , Wei Li

Improving the electrical conductivity and corrosion resistance of metal bipolar plates is crucial for proton exchange membrane fuel cells (PEMFCs). In this study, protective coatings with titanium as the base layer and amorphous carbon as the top layer were deposited on 316L stainless steel using a filtered cathodic vacuum arc (FCVA) deposition system. The effect of bias voltage on the morphology, composition, corrosion resistance, and interfacial contact resistance (ICR) of the amorphous carbon coatings was systematically investigated, with the corrosion mechanisms and surface property changes after corrosion were analyzed. During potentiostatic polarization tests at 0.6V (vs. SCE) and 1.3V (vs. SHE) for 10 h, corrosion current densities for all coatings were below 1

\times

10⁻⁷ A/cm² and 1.5

\times

10⁻⁶ A/cm². Even after potentiostatic polarization at 1.6V (vs. SHE), the ICR before and after electrochemical corrosion remained as low as 4.26 Ω cm² and 3.81 Ω cm². The coatings demonstrated excellent corrosion resistance and low ICR. Additionally, the degradation mechanism of the coatings under high-potential corrosion conditions was examined.

{"title":"Corrosion resistant and conductive amorphous carbon/Ti coatings on stainless steel bipolar plates prepared by filtered cathodic vacuum arc system","authors":"Quanxian Zu , Changhai Mao , Jiacheng Zhang , Tianju Chen , Jingjing Wang , Xun Ma , Ping Liu , Baosen Mi , Wei Li","doi":"10.1016/j.ijhydene.2025.02.461","DOIUrl":"10.1016/j.ijhydene.2025.02.461","url":null,"abstract":"<div><div>Improving the electrical conductivity and corrosion resistance of metal bipolar plates is crucial for proton exchange membrane fuel cells (PEMFCs). In this study, protective coatings with titanium as the base layer and amorphous carbon as the top layer were deposited on 316L stainless steel using a filtered cathodic vacuum arc (FCVA) deposition system. The effect of bias voltage on the morphology, composition, corrosion resistance, and interfacial contact resistance (ICR) of the amorphous carbon coatings was systematically investigated, with the corrosion mechanisms and surface property changes after corrosion were analyzed. During potentiostatic polarization tests at 0.6V (vs. SCE) and 1.3V (vs. SHE) for 10 h, corrosion current densities for all coatings were below 1 <span><math><mrow><mo>×</mo></mrow></math></span> 10<sup>−7</sup> A/cm<sup>2</sup> and 1.5 <span><math><mrow><mo>×</mo></mrow></math></span> 10<sup>−6</sup> A/cm<sup>2</sup>. Even after potentiostatic polarization at 1.6V (vs. SHE), the ICR before and after electrochemical corrosion remained as low as 4.26 Ω cm<sup>2</sup> and 3.81 Ω cm<sup>2</sup>. The coatings demonstrated excellent corrosion resistance and low ICR. Additionally, the degradation mechanism of the coatings under high-potential corrosion conditions was examined.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"113 ","pages":"Pages 575-584"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552168","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

Operational optimization of multi-node hydrogen blending considering hydrogen storage tank pressure sensitivity in gas-electric integrated energy system

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.372

Jun Zhou , Yue Wu , Duoyun Tu , Guangchuan Liang , Shuaishuai Li , Junjie Ma , Jiaxing Zhu , Xiaolong Lai

Hydrogen storage tanks (HST) play a crucial role in integrating renewable energy (RE) into gas-electric integrated energy systems (GEIES), overcoming the intermittency of RE. The hydrogen stored in HST can be transported through natural gas pipeline network (NGPN). However, the effects of HST pressure limits and hydrogen blending ratios on GEIES operation remains unclear. To minimize RE curtailment, this paper introduces a multi-node hydrogen blending (MNHB) mode, and develops a mixed-integer nonlinear optimization model with the objective of minimizing the daily system operating cost. This model takes into account hydrogen storage tank pressure limits (HSTPL) and hydrogen blending fluctuations (HBF) within NGPN. For enhanced solution efficiency, natural gas (NG) pipeline flow equations and generator equations are linearized. HST pressure sensitivity analysis shows that when the maximum pressure limit of HST increases from 10 MPa to 38 MPa, the system operating cost decreases by 7.1%, and boots hydrogen storage capacity increases by 251.2%. Regarding HBF, when compared to a fixed hydrogen blending ratio (FHBR) of 20%, fluctuations between 0% and 15% lead to a 43% reduction in pipeline hydrogen content, a 28.9% rise in system costs, and increases in wind and solar energy curtailment rates by 6% and 23.9%, respectively. This study offers valuable insights into how HSTPL and HBF influence GEIES performance.

{"title":"Operational optimization of multi-node hydrogen blending considering hydrogen storage tank pressure sensitivity in gas-electric integrated energy system","authors":"Jun Zhou , Yue Wu , Duoyun Tu , Guangchuan Liang , Shuaishuai Li , Junjie Ma , Jiaxing Zhu , Xiaolong Lai","doi":"10.1016/j.ijhydene.2025.02.372","DOIUrl":"10.1016/j.ijhydene.2025.02.372","url":null,"abstract":"<div><div>Hydrogen storage tanks (HST) play a crucial role in integrating renewable energy (RE) into gas-electric integrated energy systems (GEIES), overcoming the intermittency of RE. The hydrogen stored in HST can be transported through natural gas pipeline network (NGPN). However, the effects of HST pressure limits and hydrogen blending ratios on GEIES operation remains unclear. To minimize RE curtailment, this paper introduces a multi-node hydrogen blending (MNHB) mode, and develops a mixed-integer nonlinear optimization model with the objective of minimizing the daily system operating cost. This model takes into account hydrogen storage tank pressure limits (HSTPL) and hydrogen blending fluctuations (HBF) within NGPN. For enhanced solution efficiency, natural gas (NG) pipeline flow equations and generator equations are linearized. HST pressure sensitivity analysis shows that when the maximum pressure limit of HST increases from 10 MPa to 38 MPa, the system operating cost decreases by 7.1%, and boots hydrogen storage capacity increases by 251.2%. Regarding HBF, when compared to a fixed hydrogen blending ratio (FHBR) of 20%, fluctuations between 0% and 15% lead to a 43% reduction in pipeline hydrogen content, a 28.9% rise in system costs, and increases in wind and solar energy curtailment rates by 6% and 23.9%, respectively. This study offers valuable insights into how HSTPL and HBF influence GEIES performance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"113 ","pages":"Pages 629-645"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552498","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

Listening to change: Stakeholder analysis and interviews examining perspectives on the diffusion of coupled hydrogen and electrical island grids

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.255

Rubina Shirin Steller, Erik Alexander Recklies, Petra Schweizer-Ries

Germany’s goal of sourcing 80% of its electricity from renewable energy by 2030 presents challenges due to the intermittent nature of these sources. Smart integrated grids (SmInT-Grids) offer a solution by managing energy distribution and storage to address these intermittencies. This study captures and analyzes stakeholder perceptions on a hypothetical implementation of SmInT-Grids in Hamburg, Germany. Through interviews, we examine views on attitudes, needs, benefits, risks, and barriers associated with these grids. Findings emphasize the role of institutions in fostering acceptance through information, education, transparent communication, and participatory opportunities. Identified prerequisites include effective stakeholder management, investment security, access to suitable construction sites, and an efficient legal framework. High costs and regulatory barriers appeared as perceived significant obstacles. The study highlights the necessity of early stakeholder engagement to facilitate the adoption of SmInT-Grids, providing insights for future policy.

{"title":"Listening to change: Stakeholder analysis and interviews examining perspectives on the diffusion of coupled hydrogen and electrical island grids","authors":"Rubina Shirin Steller, Erik Alexander Recklies, Petra Schweizer-Ries","doi":"10.1016/j.ijhydene.2025.02.255","DOIUrl":"10.1016/j.ijhydene.2025.02.255","url":null,"abstract":"<div><div>Germany’s goal of sourcing 80% of its electricity from renewable energy by 2030 presents challenges due to the intermittent nature of these sources. Smart integrated grids (SmInT-Grids) offer a solution by managing energy distribution and storage to address these intermittencies. This study captures and analyzes stakeholder perceptions on a hypothetical implementation of SmInT-Grids in Hamburg, Germany. Through interviews, we examine views on attitudes, needs, benefits, risks, and barriers associated with these grids. Findings emphasize the role of institutions in fostering acceptance through information, education, transparent communication, and participatory opportunities. Identified prerequisites include effective stakeholder management, investment security, access to suitable construction sites, and an efficient legal framework. High costs and regulatory barriers appeared as perceived significant obstacles. The study highlights the necessity of early stakeholder engagement to facilitate the adoption of SmInT-Grids, providing insights for future policy.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"113 ","pages":"Pages 787-800"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563439","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

Enhancement of hydrogen storage and electrochemical performance in BCC alloys: The role of Cu, Pd, and Hf substitutions

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.487

GuangBo Shi , RuiXuan Zhao , HaiDeng Wang , YuTing Wang , Xin Ju , Kwo Young , Yuan Wu , ChuBin Wan

This study examined the effects of partially substituting Ni with Cu, Pd, and Hf elements in the body-centered cubic (BCC) hydrogen storage alloy Ti_15.6Zr_2.1V₄₄Cr_11.2Mn_8.7Fe_2.7Co_1.4Ni_15.6Al_0.3. The structures, hydrogen storage capacities, and electrochemical properties of these alloys were investigated. The introduction of corrosion-resistant elements, which did not participate in forming the primary BCC structure, influenced the lattice constants of the secondary C14 and TiNi phases. The inclusion of Pd and Hf enhanced the gaseous phase hydrogen storage capacity and reduced the plateau pressure. During charge-discharge cycles, the Pd-substituted alloy demonstrated superior capacity retention and cycling stability. In contrast, Cu substitution showed limited improvement in alloy performance due to its high solubility in the TiNi phase, which could be attributed to the similar atomic sizes of Cu and Ni. This study confirms the efficacy of adding Pd to improve the high-rate discharge ability of BCC hydrogen storage alloy used as electrodes through the enhancements in surface exchange current, H diffusion, and reaction resistance.

{"title":"Enhancement of hydrogen storage and electrochemical performance in BCC alloys: The role of Cu, Pd, and Hf substitutions","authors":"GuangBo Shi , RuiXuan Zhao , HaiDeng Wang , YuTing Wang , Xin Ju , Kwo Young , Yuan Wu , ChuBin Wan","doi":"10.1016/j.ijhydene.2025.02.487","DOIUrl":"10.1016/j.ijhydene.2025.02.487","url":null,"abstract":"<div><div>This study examined the effects of partially substituting Ni with Cu, Pd, and Hf elements in the body-centered cubic (BCC) hydrogen storage alloy Ti<sub>15.6</sub>Zr<sub>2.1</sub>V<sub>44</sub>Cr<sub>11.2</sub>Mn<sub>8.7</sub>Fe<sub>2.7</sub>Co<sub>1.4</sub>Ni<sub>15.6</sub>Al<sub>0.3</sub>. The structures, hydrogen storage capacities, and electrochemical properties of these alloys were investigated. The introduction of corrosion-resistant elements, which did not participate in forming the primary BCC structure, influenced the lattice constants of the secondary C14 and TiNi phases. The inclusion of Pd and Hf enhanced the gaseous phase hydrogen storage capacity and reduced the plateau pressure. During charge-discharge cycles, the Pd-substituted alloy demonstrated superior capacity retention and cycling stability. In contrast, Cu substitution showed limited improvement in alloy performance due to its high solubility in the TiNi phase, which could be attributed to the similar atomic sizes of Cu and Ni. This study confirms the efficacy of adding Pd to improve the high-rate discharge ability of BCC hydrogen storage alloy used as electrodes through the enhancements in surface exchange current, H diffusion, and reaction resistance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"114 ","pages":"Pages 161-171"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563790","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

Machine learning assisted screening of non-metal doped MXenes catalysts for hydrogen evolution reaction

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.469

Mei Yang , Changxin Wang , Minhui Song , Lu Xie , Ping Qian , Yanjing Su

Heteroatom doping is a promising strategy to enhance the hydrogen evolution reaction (HER) performance of MXenes. The combination of machine learning (ML) techniques and high-throughput density functional theory (DFT) calculations offers an efficient approach for screening and designing HER electrocatalysts. In this study, we systematically investigated the impact of non-metal (NM) single-atom doping on the HER activity of V₂C MXenes with different surface functional groups (O and S). Our results reveal how the NM dopants influence the electronic structure, particularly the pz orbital electron redistribution, which subsequently affects the Gibbs free energy of hydrogen adsorption (ΔG_H∗). Additionally, a universal descriptor, integrating both electronic and structural properties, was developed using ML to predict ΔG_H∗ and successfully captures the HER catalytic activity trends for a variety of NM dopants in V₂CO₂ and V₂CS₂. Notably, the descriptor can also be extended to doped V₂CSe₂ and V₂CTe₂ for HER catalysis. Among the doped MXenes, P–V₂CTe₂ outperforms platinum (Pt) in terms of ΔG_H∗, demonstrating exceptional potential for practical HER applications. Our study provides a comprehensive framework for the efficient exploration and design of high-performance MXene-based HER catalysts.

{"title":"Machine learning assisted screening of non-metal doped MXenes catalysts for hydrogen evolution reaction","authors":"Mei Yang , Changxin Wang , Minhui Song , Lu Xie , Ping Qian , Yanjing Su","doi":"10.1016/j.ijhydene.2025.02.469","DOIUrl":"10.1016/j.ijhydene.2025.02.469","url":null,"abstract":"<div><div>Heteroatom doping is a promising strategy to enhance the hydrogen evolution reaction (HER) performance of MXenes. The combination of machine learning (ML) techniques and high-throughput density functional theory (DFT) calculations offers an efficient approach for screening and designing HER electrocatalysts. In this study, we systematically investigated the impact of non-metal (NM) single-atom doping on the HER activity of V<sub>2</sub>C MXenes with different surface functional groups (O and S). Our results reveal how the NM dopants influence the electronic structure, particularly the pz orbital electron redistribution, which subsequently affects the Gibbs free energy of hydrogen adsorption (Δ<em>G</em><sub>H∗</sub>). Additionally, a universal descriptor, integrating both electronic and structural properties, was developed using ML to predict Δ<em>G</em><sub>H∗</sub> and successfully captures the HER catalytic activity trends for a variety of NM dopants in V<sub>2</sub>CO<sub>2</sub> and V<sub>2</sub>CS<sub>2</sub>. Notably, the descriptor can also be extended to doped V<sub>2</sub>CSe<sub>2</sub> and V<sub>2</sub>CTe<sub>2</sub> for HER catalysis. Among the doped MXenes, P–V<sub>2</sub>CTe<sub>2</sub> outperforms platinum (Pt) in terms of Δ<em>G</em><sub>H∗</sub>, demonstrating exceptional potential for practical HER applications. Our study provides a comprehensive framework for the efficient exploration and design of high-performance MXene-based HER catalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"113 ","pages":"Pages 740-748"},"PeriodicalIF":8.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551560","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

Configuration optimization of offshore energy islands coupled with ammonia refueling station and submarine salt cavern hydrogen storage

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.481

Wenzuo Zhang , Qingwei Li , Jiahai Yuan , Chuanbo Xu

The current wind power industry is gradually developing towards deep-sea areas. Utilizing offshore islands for hydrogen and ammonia production can solve the problems of power transmission and consumption in offshore areas. Ammonia, as a hydrogen vector, can replace heavy oil in marine transportation. With the increased demand for offshore ammonia refueling for ships, and considering the large-scale, long-term, and well-sealing characteristics of submarine salt cavern hydrogen storage (SSCHS) for stabilizing ammonia production, this study elaborates on a novel energy island coupled system including offshore ammonia refueling stations and SSCHS. An optimization model is established for capacity configuration and operation optimization. Sensitivity analysis is conducted on wind speed, electrolyzer efficiency, and ammonia demand. The results show that the energy island incorporating SSCHS can reduce the power curtailment rate from 11.042% to 1.903% and reduce the LCOA from CNY 5.376/kg to CNY 4.906/kg. The offshore ammonia refueling station can decarbonize the marine transportation sector by reducing 40000 tons of carbon emissions annually. Wind speed significantly impacts LCOA, with an increase of 1 m/s in average wind speed resulting in a CNY 1.76/kg decrease in LCOA. The novel coupled system can offer insights into the future development of offshore energy islands, promote the development and utilization of offshore green energy, and support the transition to a carbon-neutral society.

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引用次数: 0

Laminar burning velocities of hydrogen-propane-nitrous oxide premixed flames: Experimental study and kinetic analysis

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-03-06 DOI: 10.1016/j.ijhydene.2025.02.429

Yun Ge , Hong-Hao Ma , Lu-Qing Wang

An experimental investigation and kinetic analysis on laminar burning velocities (LBVs,

S_{L}

) of hydrogen-propane-nitrous oxide flames at a large range of equivalence ratios (

ϕ = 0.4 - 1.8

), hydrogen fractions (

X_{H} = 0 - 1.0

), and initial pressures (

P_{u} = 0.5 - 3.0 atm

) were first reported in this work. Experiments were performed in a constant-volume combustion chamber (CVCC), using a high-speed schlieren system to record the flame radius-time histories. The laminar combustion characteristics and chemical reaction kinetics were discussed in detail. Results show that the inflection point of

S_{L} - ϕ

transits gradually from

ϕ = 1.0

ϕ = 1.4

with hydrogen fraction, due to the diffusion term dominating over the chemical term in hydrogen-rich flames. Besides,

S_{L}

presents three increasing regimes with hydrogen fraction, and the influence of hydrogen fraction on

S_{L}

is attributed to the enhancement of the chemical kinetic effect with hydrogen fraction. In addition, the sensitivity analysis shows that the elementary reactions of small species show controlling effects on the laminar burning velocity of H₂–C₃H₈–N₂O flames. Both chain-branching reactions N₂O(+M) = N₂+O(+M) and N₂O + HN₂+OH are directly related to N₂O, which is different from the chain-branching reaction H + O₂O + OH in fuel-air flames. Further, the reaction paths analysis shows that the change in hydrogen fraction would affect not only the reaction routes but also the integrated conversion rates of the main steps.

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