Pub Date : 2026-01-30DOI: 10.1016/j.ijhydene.2026.153730
Xiaoshi Ju , Peng Xu , Chunxiao Zhang , Ningyan Cheng , Yundan Liu , Yuping Sun , Jianxin Zhong , Long Ren
Phase engineering of transition metal chalcogenides is a promising strategy for optimizing catalytic performance. In this work, we investigate the phase-dependent catalytic properties of NiSe. Using density functional theory (DFT) and Variable-cell nudged elastic band technique, we reveal a metastable intermediate phase (MIS-2′) within the confinement the of interface on the transition path from hexagonal (H–NiSe) to rhombohedral (R–NiSe) structures. Gibbs free energy calculations show that the MIS-2′ phase has superior hydrogen adsorption (ΔGH∗ = −0.02 eV) compared to H–NiSe and R–NiSe. NiSe catalysts with different phases were synthesized by hydrothermal methods, and electrochemical tests in 1 M KOH show that the sample containing both MIS-2′ and R–NiSe prepared at 150 °C, delivers the best HER performance (η10 = 105.08 mV, Tafel slope = 121.12 mV dec−1). This improvement is attributed to the synergistic effects of the two phases, especially the involvement of MIS. These findings highlight the potential of phase engineering to enhance catalytic activity and offer a new pathway for optimizing transition-metal chalcogenides based electrocatalysts for sustainable energy applications.
{"title":"Metastable intermediate phase engineering of NiSe electrocatalyst for enhanced hydrogen evolution reaction","authors":"Xiaoshi Ju , Peng Xu , Chunxiao Zhang , Ningyan Cheng , Yundan Liu , Yuping Sun , Jianxin Zhong , Long Ren","doi":"10.1016/j.ijhydene.2026.153730","DOIUrl":"10.1016/j.ijhydene.2026.153730","url":null,"abstract":"<div><div>Phase engineering of transition metal chalcogenides is a promising strategy for optimizing catalytic performance. In this work, we investigate the phase-dependent catalytic properties of NiSe. Using density functional theory (DFT) and Variable-cell nudged elastic band technique, we reveal a metastable intermediate phase (MIS-2′) within the confinement the of interface on the transition path from hexagonal (H–NiSe) to rhombohedral (R–NiSe) structures. Gibbs free energy calculations show that the MIS-2′ phase has superior hydrogen adsorption (ΔG<sub>H</sub>∗ = −0.02 eV) compared to H–NiSe and R–NiSe. NiSe catalysts with different phases were synthesized by hydrothermal methods, and electrochemical tests in 1 M KOH show that the sample containing both MIS-2′ and R–NiSe prepared at 150 °C, delivers the best HER performance (η<sub>10</sub> = 105.08 mV, Tafel slope = 121.12 mV dec<sup>−1</sup>). This improvement is attributed to the synergistic effects of the two phases, especially the involvement of MIS. These findings highlight the potential of phase engineering to enhance catalytic activity and offer a new pathway for optimizing transition-metal chalcogenides based electrocatalysts for sustainable energy applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153730"},"PeriodicalIF":8.3,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077190","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 : 2026-01-30DOI: 10.1016/j.ijhydene.2026.153708
Huseyin Unsal , Rahul Majee , Andrea Veronese , Selda Ozkan , Paul Connor , Aaron Naden , Tugba A. Boynuegri , Cristian Savaniu , John T.S. Irvine
Solid oxide fuel cells (SOFCs) suffer from degradation issues primarily arising from their high operating temperatures. Among the most critical degradation mechanisms is cathode poisoning by volatile chromium species from Fe–Cr-based metallic interconnects. A widely adopted strategy to mitigate this problem involves applying protective surface coatings to the interconnects. In this study, protective layers were deposited on AISI 430 stainless steel using the screen-printing method. A bilayer coating comprising a chromium-rich spinel (MgFe0.1Cr1.9O4) and a perovskite (La0.65Sr0.35)0.95MnO3 (LSM) was applied to enhance oxidation resistance and minimise the increase in electrical resistance. Three types of substrates, bare, single-layer LSM-coated, and bilayer (spinel-perovskite) coated, were subjected to 1000-h oxidation at 800 °C in static air, simulating SOFC cathode operating conditions without electrical load. The bilayer-coated steel exhibited excellent long-term durability, with no detectable chromium migration from the steel or spinel layer to the LSM surface. The chromite spinel layer significantly improved LSM adhesion, prevented cracking and buckling, and maintained a stable oxide layer thickness (∼3 μm) at the coating-substrate interface. The area-specific resistance (ASR) of the bilayer-coated steel remained low, measured at 0.056 Ω cm2 after 1000 h, outperforming both the uncoated and LSM monolayer coated samples.
{"title":"Iron doped magnesium chromite spinel and LSM coating to diminish chromium poisoning in the SOFC cathode environment","authors":"Huseyin Unsal , Rahul Majee , Andrea Veronese , Selda Ozkan , Paul Connor , Aaron Naden , Tugba A. Boynuegri , Cristian Savaniu , John T.S. Irvine","doi":"10.1016/j.ijhydene.2026.153708","DOIUrl":"10.1016/j.ijhydene.2026.153708","url":null,"abstract":"<div><div>Solid oxide fuel cells (SOFCs) suffer from degradation issues primarily arising from their high operating temperatures. Among the most critical degradation mechanisms is cathode poisoning by volatile chromium species from Fe–Cr-based metallic interconnects. A widely adopted strategy to mitigate this problem involves applying protective surface coatings to the interconnects. In this study, protective layers were deposited on AISI 430 stainless steel using the screen-printing method. A bilayer coating comprising a chromium-rich spinel (MgFe<sub>0.1</sub>Cr<sub>1.9</sub>O<sub>4</sub>) and a perovskite (La<sub>0.65</sub>Sr<sub>0.35</sub>)<sub>0.95</sub>MnO<sub>3</sub> (LSM) was applied to enhance oxidation resistance and minimise the increase in electrical resistance. Three types of substrates, bare, single-layer LSM-coated, and bilayer (spinel-perovskite) coated, were subjected to 1000-h oxidation at 800 °C in static air, simulating SOFC cathode operating conditions without electrical load. The bilayer-coated steel exhibited excellent long-term durability, with no detectable chromium migration from the steel or spinel layer to the LSM surface. The chromite spinel layer significantly improved LSM adhesion, prevented cracking and buckling, and maintained a stable oxide layer thickness (∼3 μm) at the coating-substrate interface. The area-specific resistance (ASR) of the bilayer-coated steel remained low, measured at 0.056 Ω cm<sup>2</sup> after 1000 h, outperforming both the uncoated and LSM monolayer coated samples.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153708"},"PeriodicalIF":8.3,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077125","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 : 2026-01-30DOI: 10.1016/j.ijhydene.2026.153662
Ruiqi Li , Haixiao Hu , KaiDong Zheng , Hongda Chen , Haonan Liu , Hao Li , Yu Zhang , Shuxin Li
Safety of hydrogen storage composite pressure vessels (CPVs) with in-service pressure to 70 MPa is critical for the hydrogen industry. This study proposed a novel fully embedded fibre bragg grating (FBG) sensor network and integration strategy and implemented for in-situ structural health monitoring (SHM) of Type IV CPVs. The proposed SHM network design and innovative integration strategy accomplished in-situ full field monitoring of CPVs for the first time over industrial standard burst pressure of 172.4 MPa with FBG strains up to 18000 με. The new FBG integration method and designed winding device achieved minimum disruption for manufacturing process with 100 % sensor survival rate. The cyclic internal pressure and burst experiments were carried out and simulated with advanced finite element analysis including progressive damage model. The in-situ monitoring results were compared with the experimental and numerical simulation results for validation. Good agreement with errors within 10 % and correct detection of the failure location demonstrated the applicability and reliability of the proposed SHM strategy. This study provides an effective technical means for SHM and safety evaluation of Type IV hydrogen storage CPVs in engineering applications.
{"title":"A novel embedded optical fibre sensors network and integration strategy for in-situ monitoring of hydrogen storage 70 MPa type IV composite pressure vessels","authors":"Ruiqi Li , Haixiao Hu , KaiDong Zheng , Hongda Chen , Haonan Liu , Hao Li , Yu Zhang , Shuxin Li","doi":"10.1016/j.ijhydene.2026.153662","DOIUrl":"10.1016/j.ijhydene.2026.153662","url":null,"abstract":"<div><div>Safety of hydrogen storage composite pressure vessels (CPVs) with in-service pressure to 70 MPa is critical for the hydrogen industry. This study proposed a novel fully embedded fibre bragg grating (FBG) sensor network and integration strategy and implemented for in-situ structural health monitoring (SHM) of Type IV CPVs. The proposed SHM network design and innovative integration strategy accomplished in-situ full field monitoring of CPVs for the first time over industrial standard burst pressure of 172.4 MPa with FBG strains up to 18000 με. The new FBG integration method and designed winding device achieved minimum disruption for manufacturing process with 100 % sensor survival rate. The cyclic internal pressure and burst experiments were carried out and simulated with advanced finite element analysis including progressive damage model. The in-situ monitoring results were compared with the experimental and numerical simulation results for validation. Good agreement with errors within 10 % and correct detection of the failure location demonstrated the applicability and reliability of the proposed SHM strategy. This study provides an effective technical means for SHM and safety evaluation of Type IV hydrogen storage CPVs in engineering applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153662"},"PeriodicalIF":8.3,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077182","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153670
Mu Chai, Jin-sheng Wu, Zuo-hong Zhu, Jie Ye, Mian Jiang, Yong Chen, Kuan-fang He
The hydrogen absorption reaction of metal hydrides (MH) is accompanied by a significant thermal effect. Phase change materials (PCMs), known for their superior thermal energy storage capabilities, enable effective thermal management in MH reactors. This study proposes a novel reactor design that integrates PCMs with MHs (MH-PCM). By establishing numerical models of reaction beds with heat exchange fins of different shapes, the effects of fin structure, quantity, different area ratios of upper-lower bases, and different numbers of fin layers on the heat transfer performance and hydrogen absorption efficiency of the reactor are discussed in detail. The results show that the proposed novel MH-PCM reactor significantly improves thermal management by enlarging the heat transfer area, improving the uniformity of temperature distribution, enhancing the upper convection effect, and consequently increases the hydrogen absorption rate. Among all the fin configurations investigated, the quadrilateral fin structure exhibits a 33.17 % increase in hydrogen absorption efficiency compared with the original structure. Specifically, in contrast to the two-fin structure, the five-fin structure reduces the saturated hydrogen absorption time by 26.3 %. In terms of different fin layer numbers, the two-layer fin structure delivers the optimal hydrogen absorption performance, which shortens the time required to reach saturated hydrogen absorption by 5 % compared with the one-layer structure and elevates the hydrogen absorption rate by 65.15 % relative to the original structure. This finding provides valuable guidance for the future optimization and application of MH-PCM reactors.
{"title":"The structural design of a metal hydride hydrogen storage reactor enhanced with phase change heat transfer","authors":"Mu Chai, Jin-sheng Wu, Zuo-hong Zhu, Jie Ye, Mian Jiang, Yong Chen, Kuan-fang He","doi":"10.1016/j.ijhydene.2026.153670","DOIUrl":"10.1016/j.ijhydene.2026.153670","url":null,"abstract":"<div><div>The hydrogen absorption reaction of metal hydrides (MH) is accompanied by a significant thermal effect. Phase change materials (PCMs), known for their superior thermal energy storage capabilities, enable effective thermal management in MH reactors. This study proposes a novel reactor design that integrates PCMs with MHs (MH-PCM). By establishing numerical models of reaction beds with heat exchange fins of different shapes, the effects of fin structure, quantity, different area ratios of upper-lower bases, and different numbers of fin layers on the heat transfer performance and hydrogen absorption efficiency of the reactor are discussed in detail. The results show that the proposed novel MH-PCM reactor significantly improves thermal management by enlarging the heat transfer area, improving the uniformity of temperature distribution, enhancing the upper convection effect, and consequently increases the hydrogen absorption rate. Among all the fin configurations investigated, the quadrilateral fin structure exhibits a 33.17 % increase in hydrogen absorption efficiency compared with the original structure. Specifically, in contrast to the two-fin structure, the five-fin structure reduces the saturated hydrogen absorption time by 26.3 %. In terms of different fin layer numbers, the two-layer fin structure delivers the optimal hydrogen absorption performance, which shortens the time required to reach saturated hydrogen absorption by 5 % compared with the one-layer structure and elevates the hydrogen absorption rate by 65.15 % relative to the original structure. This finding provides valuable guidance for the future optimization and application of MH-PCM reactors.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"211 ","pages":"Article 153670"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076581","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}
Renewable alkaline water electrolysis (ALK) is widely regarded as a sustainable and dependable pathway for large-scale green hydrogen production. However, the performance of ALK with zero gap is constrained by limitations in the separator-electrodes, and the damage of the separator is prone to occur under long-term operation due to the friction between commercial nickel mesh electrode and the separator. In this work, we fabricated the flexible porous nickel-polyethersulfone (Ni-PESf) composite electrodes with different casting thickness (400, 800 and 1200 μm) and zirconia-polyethersulfone (ZrO2-PESf) composite separator via the phase inversion tape casting process. The ZrO2-PESf separator exhibited remarkable thermal stability (no significant decomposition below 400 °C), as well as good mechanical properties (a maximum elongation of 22.62 % and a tensile strength of 12.55 MPa). Moreover, the ZrO2-PESf separator showed high hydrophilicity (a contact angle of 45.7°), and possessed a low areal resistance of 0.322 Ω cm−2. The homemade ALK device based on the ZrO2-PESf separator integrated with 1200 μm-thickness-Ni-PESf (NP1200) electrodes achieved the highest current density of 1.8 A cm−2@2.2 V in a 30 wt% KOH solution at 80 °C. Additionally, a more flexible cell configuration of NP800||ZrO2-PESf||NP800 demonstrated stable performance by maintaining a voltage of approximately 2 V at 0.8 A cm−2 for 150 h, enabling straightforward mass manufacturing for high-purity hydrogen.
可再生碱性电解（ALK）被广泛认为是一种可持续、可靠的大规模绿色制氢途径。然而，零间隙ALK的性能受到分离器电极的限制，并且在长期运行下，由于商用镍网电极与分离器之间的摩擦，容易造成分离器的损坏。本文采用相变带铸造工艺制备了不同铸造厚度（400、800和1200 μm）的镍聚醚砜（Ni-PESf）柔性多孔复合电极和锆聚醚砜（ZrO2-PESf）复合隔膜。ZrO2-PESf分离器具有良好的热稳定性（在400℃以下无明显分解）和良好的力学性能（最大伸长率为22.62%，抗拉强度为12.55 MPa）。此外，ZrO2-PESf分离器具有较高的亲水性（接触角为45.7°），面阻低，为0.322 Ω cm−2。基于ZrO2-PESf分离器集成1200 μm厚度的ni - pesf （NP1200）电极的自制ALK器件在30 wt% KOH溶液中，在80°C下获得了1.8 A cm−2@2.2 V的最高电流密度。此外，更灵活的电池配置NP800||ZrO2-PESf||NP800表现出稳定的性能，在0.8 a cm - 2下保持约2 V的电压150小时，使高纯度氢气的直接批量生产成为可能。
{"title":"Flexible porous Ni-based electrodes integrated with ZrO2-modified separator for high current density alkaline water electrolysis","authors":"Liang Ren , Yugang Zhou , Xu Chen, Tao Zhang, Yu Gao, Ruina Zhang, Yanshuo Li, Wei Fang","doi":"10.1016/j.ijhydene.2026.153618","DOIUrl":"10.1016/j.ijhydene.2026.153618","url":null,"abstract":"<div><div>Renewable alkaline water electrolysis (ALK) is widely regarded as a sustainable and dependable pathway for large-scale green hydrogen production. However, the performance of ALK with zero gap is constrained by limitations in the separator-electrodes, and the damage of the separator is prone to occur under long-term operation due to the friction between commercial nickel mesh electrode and the separator. In this work, we fabricated the flexible porous nickel-polyethersulfone (Ni-PESf) composite electrodes with different casting thickness (400, 800 and 1200 μm) and zirconia-polyethersulfone (ZrO<sub>2</sub>-PESf) composite separator via the phase inversion tape casting process. The ZrO<sub>2</sub>-PESf separator exhibited remarkable thermal stability (no significant decomposition below 400 °C), as well as good mechanical properties (a maximum elongation of 22.62 % and a tensile strength of 12.55 MPa). Moreover, the ZrO<sub>2</sub>-PESf separator showed high hydrophilicity (a contact angle of 45.7°), and possessed a low areal resistance of 0.322 Ω cm<sup>−2</sup>. The homemade ALK device based on the ZrO<sub>2</sub>-PESf separator integrated with 1200 μm-thickness-Ni-PESf (NP1200) electrodes achieved the highest current density of 1.8 A cm<sup>−2</sup>@2.2 V in a 30 wt% KOH solution at 80 °C. Additionally, a more flexible cell configuration of NP800||ZrO<sub>2</sub>-PESf||NP800 demonstrated stable performance by maintaining a voltage of approximately 2 V at 0.8 A cm<sup>−2</sup> for 150 h, enabling straightforward mass manufacturing for high-purity hydrogen.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153618"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077177","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153633
Xizhe Lu , Fang Cheng , Gangqiang Wu , Zhendong Yao , Yongfu Cui , Chao Li
MgH2 is a hydrogen storage material with high hydrogen absorption/release temperatures and poor kinetics. Although a large number of catalysts capable of optimizing the performance of MgH2 have been developed in recent years, there are relatively few studies focus on its size effect. In this work, TiO2 particles with the similar morphology but different sizes were synthesized. It shows that reducing particle size within a certain range (from 1.3 μm to 60 nm) can dramatically enhance the catalytic effect of TiO2 on MgH2. However, when the catalyst size reduces from 60 to 25 nm, due to the severe agglomeration of nanoparticles, there is a little improvement in the dehydrogenation temperature, but an obvious improvement in dynamics. It can be seen in solid-state catalytic systems, merely considering particle size while ignoring the problem of agglomeration and dispersion form of the catalyst in the matrix cannot achieve the best catalytic effect.
{"title":"Particle size effect of TiO2 on the catalysis of MgH2","authors":"Xizhe Lu , Fang Cheng , Gangqiang Wu , Zhendong Yao , Yongfu Cui , Chao Li","doi":"10.1016/j.ijhydene.2026.153633","DOIUrl":"10.1016/j.ijhydene.2026.153633","url":null,"abstract":"<div><div>MgH<sub>2</sub> is a hydrogen storage material with high hydrogen absorption/release temperatures and poor kinetics. Although a large number of catalysts capable of optimizing the performance of MgH<sub>2</sub> have been developed in recent years, there are relatively few studies focus on its size effect. In this work, TiO<sub>2</sub> particles with the similar morphology but different sizes were synthesized. It shows that reducing particle size within a certain range (from 1.3 μm to 60 nm) can dramatically enhance the catalytic effect of TiO<sub>2</sub> on MgH<sub>2</sub>. However, when the catalyst size reduces from 60 to 25 nm, due to the severe agglomeration of nanoparticles, there is a little improvement in the dehydrogenation temperature, but an obvious improvement in dynamics. It can be seen in solid-state catalytic systems, merely considering particle size while ignoring the problem of agglomeration and dispersion form of the catalyst in the matrix cannot achieve the best catalytic effect.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153633"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077195","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153712
Jeongjae Oh , Inhye Kim , Minseok Im , Dongwoo Kang , Sunghyun Cho
This study investigates the feasibility of producing ammonia from waste-derived resources through four pathways: the reference incineration process (INCI), the Haber–Bosch route using imported nitrogen (HB), a mechanochemical ball milling process (BM), and an integrated chemical looping–ball milling system (CLBM) that internally supplies hydrogen and nitrogen. All scenarios were conducted at a scale of 2000 kg/day, followed by life cycle assessment using the ReCiPe 2016 Midpoint method and techno-economic analysis that included capital cost, operating cost, carbon tax, and net profit. BM achieved the lowest GWP on a waste-treatment basis (2.330 kg CO2-eq/kg-waste), while CLBM showed the lowest product-based emissions (5.439 kg CO2-eq/kg-NH3). Although none of the routes achieved positive profitability at the evaluated scale, CLBM recorded the smallest annual deficit (−103.6 k$), outperforming HB and BM due to higher ammonia productivity and internal resource generation. Overall, CLBM demonstrated the most favorable balance between environmental and economic performance.
{"title":"Sustainable ammonia production from waste via chemical looping and mechanochemical synthesis: A comparative life cycle and techno-economic analysis","authors":"Jeongjae Oh , Inhye Kim , Minseok Im , Dongwoo Kang , Sunghyun Cho","doi":"10.1016/j.ijhydene.2026.153712","DOIUrl":"10.1016/j.ijhydene.2026.153712","url":null,"abstract":"<div><div>This study investigates the feasibility of producing ammonia from waste-derived resources through four pathways: the reference incineration process (INCI), the Haber–Bosch route using imported nitrogen (HB), a mechanochemical ball milling process (BM), and an integrated chemical looping–ball milling system (CLBM) that internally supplies hydrogen and nitrogen. All scenarios were conducted at a scale of 2000 kg/day, followed by life cycle assessment using the ReCiPe 2016 Midpoint method and techno-economic analysis that included capital cost, operating cost, carbon tax, and net profit. BM achieved the lowest GWP on a waste-treatment basis (2.330 kg CO<sub>2</sub>-eq/kg-waste), while CLBM showed the lowest product-based emissions (5.439 kg CO<sub>2</sub>-eq/kg-NH<sub>3</sub>). Although none of the routes achieved positive profitability at the evaluated scale, CLBM recorded the smallest annual deficit (−103.6 k$), outperforming HB and BM due to higher ammonia productivity and internal resource generation. Overall, CLBM demonstrated the most favorable balance between environmental and economic performance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153712"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146057367","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153732
Yanmei Xue , Xiaohong Li , Xingzi Bian , Haochen Xie , Yue Li , Lindong Liu , Wanggang Zhang , Jian Wang , Yiming Liu
The simultaneous photoelectrocatalytic production of hypochlorous acid (HClO) and hydrogen (H2) from seawater represents a promising strategy for water disinfection and clean energy generation. However, developing efficient and stable catalyst systems remains a significant challenge. Herein, we report the construction of a BiOCl/TiO2 heterojunction photoanode that achieves remarkable synergy for concurrent HClO and H2 evolution. The composite photoanode demonstrates exceptional performance, yielding 106.0 μmol cm−2 of hypochlorous acid and 96.9 μmol cm−2 of hydrogen within 6 h. This enhanced activity is primarily attributed to the synergistic effect of a Type-II heterojunction for spatial charge separation and the unique dynamic cycle of lattice chlorine ions within BiOCl. This cycle, involving the auto-oxidation of lattice Cl− and subsequent vacancy replenishment by environmental Cl−, endows the catalyst with superior self-regeneration capability and stability. The synergistic mechanism between heterojunction engineering and lattice chlorine participation unveiled in this work provides a novel design principle for advanced photoelectrochemical (PEC) seawater splitting systems.
{"title":"Efficient and stable synergistic production of hypochlorous acid and hydrogen from seawater via lattice chlorine participation in BiOCl/TiO2 heterojunction photoanodes","authors":"Yanmei Xue , Xiaohong Li , Xingzi Bian , Haochen Xie , Yue Li , Lindong Liu , Wanggang Zhang , Jian Wang , Yiming Liu","doi":"10.1016/j.ijhydene.2026.153732","DOIUrl":"10.1016/j.ijhydene.2026.153732","url":null,"abstract":"<div><div>The simultaneous photoelectrocatalytic production of hypochlorous acid (HClO) and hydrogen (H<sub>2</sub>) from seawater represents a promising strategy for water disinfection and clean energy generation. However, developing efficient and stable catalyst systems remains a significant challenge. Herein, we report the construction of a BiOCl/TiO<sub>2</sub> heterojunction photoanode that achieves remarkable synergy for concurrent HClO and H<sub>2</sub> evolution. The composite photoanode demonstrates exceptional performance, yielding 106.0 μmol cm<sup>−2</sup> of hypochlorous acid and 96.9 μmol cm<sup>−2</sup> of hydrogen within 6 h. This enhanced activity is primarily attributed to the synergistic effect of a Type-II heterojunction for spatial charge separation and the unique dynamic cycle of lattice chlorine ions within BiOCl. This cycle, involving the auto-oxidation of lattice Cl<sup>−</sup> and subsequent vacancy replenishment by environmental Cl<sup>−</sup>, endows the catalyst with superior self-regeneration capability and stability. The synergistic mechanism between heterojunction engineering and lattice chlorine participation unveiled in this work provides a novel design principle for advanced photoelectrochemical (PEC) seawater splitting systems.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153732"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146057366","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153692
Pedro Ivo R. Moraes , Rafael L.H. Freire , Marina Medina , Juliana F. Brito , Lucia H. Mascaro , Juarez L.F. Da Silva
The rational design of non-noble transition-metal bimetallic substrates represents a promising approach for developing efficient and tunable electrocatalysts for the hydrogen evolution reaction. In this work, we employ density functional theory calculations with van der Waals corrections combined with the computational hydrogen electrode model to investigate how hydrogen–substrate interactions govern the Gibbs free energy of hydrogen adsorption ( ) on ordered bimetallic surfaces. We investigated ordered bimetallic compounds , , and with varying atomic ratios (3:1, 1:1, and 1:3) to establish adsorption-site environment activity relationships. Our results reveal that exhibits a nearly linear dependence between and the substrate ratio, showing that the catalytic activity changes by controlling the ratio of the transition-metal species. This linear scaling behavior provides a predictive framework for the rational design of experiments aimed at improving hydrogen adsorption energetics, which are governed by modulation control of the chemical species directly interfacing with the reaction environment. In contrast, although and compounds do not exhibit a linear trend as a function of specific ratios due to the local environment at the adsorption sites, the and substrates still demonstrate favorable activity. Moreover, hydrogen exhibits a strong energetic preference for hollow sites, where the adsorption energy, the dominant contribution to the Gibbs free energy, correlates directly with the chemical identity of the local catalytic site environment.
{"title":"Tuning hydrogen adsorption through synergy in non-noble bimetallic substrates","authors":"Pedro Ivo R. Moraes , Rafael L.H. Freire , Marina Medina , Juliana F. Brito , Lucia H. Mascaro , Juarez L.F. Da Silva","doi":"10.1016/j.ijhydene.2026.153692","DOIUrl":"10.1016/j.ijhydene.2026.153692","url":null,"abstract":"<div><div>The rational design of non-noble transition-metal bimetallic substrates represents a promising approach for developing efficient and tunable electrocatalysts for the hydrogen evolution reaction. In this work, we employ density functional theory calculations with van der Waals corrections combined with the computational hydrogen electrode model to investigate how hydrogen–substrate interactions govern the Gibbs free energy of hydrogen adsorption ( <figure><img></figure> ) on ordered bimetallic surfaces. We investigated ordered bimetallic compounds <figure><img></figure> , <figure><img></figure> , and <figure><img></figure> with varying atomic ratios (3:1, 1:1, and 1:3) to establish adsorption-site environment activity relationships. Our results reveal that <figure><img></figure> exhibits a nearly linear dependence between <figure><img></figure> and the substrate ratio, showing that the catalytic activity changes by controlling the ratio of the transition-metal species. This linear scaling behavior provides a predictive framework for the rational design of experiments aimed at improving hydrogen adsorption energetics, which are governed by modulation control of the chemical species directly interfacing with the reaction environment. In contrast, although <figure><img></figure> and <figure><img></figure> compounds do not exhibit a linear trend as a function of specific ratios due to the local environment at the adsorption sites, the <figure><img></figure> and <figure><img></figure> substrates still demonstrate favorable activity. Moreover, hydrogen exhibits a strong energetic preference for hollow sites, where the adsorption energy, the dominant contribution to the Gibbs free energy, correlates directly with the chemical identity of the local catalytic site environment.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153692"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146057365","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 : 2026-01-29DOI: 10.1016/j.ijhydene.2026.153521
Artur B. Zaduryan , Markus Pichler , Niels Waldmann , Christian Riedl , Karin Müllern , Benedikt Hasibar , Andreas P. Loibner
Conventional microbiological sampling of underground gas reservoirs commonly relies on sump water, which may integrate wellbore-specific signals. As part of Carbon Cycle Economy Demonstration project, we developed a low-cost in-situ biosampling device for separating wellbore-specific from reservoir-associated microbial community signals under reservoir-relevant conditions. The device containing representative rock fragments was deployed for 138 days in the reservoir well above sump and was episodically seeded with fresh reservoir fluids. While sump water sample was enriched with Methanosarcina, a legacy signal of earlier methanol ingress, biosampling device fractions were practically free of it. Notably, the hydrated rock fraction hosted a microbial community almost identical to the pre-disturbance baseline observed four years earlier, whereas non-saturated rock and chamber water reflect more transient, planktonic assemblages. We conclude that rock-associated sampling provides a complementary observational window by decoupling wellbore-specific legacy effects from reservoir-associated microbial structure, advancing subsurface microbial monitoring for underground energy storage technologies.
{"title":"An in-situ biosampling device for separating reservoir-associated from wellbore-specific microbial signals in underground gas reservoirs","authors":"Artur B. Zaduryan , Markus Pichler , Niels Waldmann , Christian Riedl , Karin Müllern , Benedikt Hasibar , Andreas P. Loibner","doi":"10.1016/j.ijhydene.2026.153521","DOIUrl":"10.1016/j.ijhydene.2026.153521","url":null,"abstract":"<div><div>Conventional microbiological sampling of underground gas reservoirs commonly relies on sump water, which may integrate wellbore-specific signals. As part of Carbon Cycle Economy Demonstration project, we developed a low-cost <em>in-situ</em> biosampling device for separating wellbore-specific from reservoir-associated microbial community signals under reservoir-relevant conditions. The device containing representative rock fragments was deployed for 138 days in the reservoir well above sump and was episodically seeded with fresh reservoir fluids. While sump water sample was enriched with <em>Methanosarcina</em>, a legacy signal of earlier methanol ingress, biosampling device fractions were practically free of it. Notably, the hydrated rock fraction hosted a microbial community almost identical to the pre-disturbance baseline observed four years earlier, whereas non-saturated rock and chamber water reflect more transient, planktonic assemblages. We conclude that rock-associated sampling provides a complementary observational window by decoupling wellbore-specific legacy effects from reservoir-associated microbial structure, advancing subsurface microbial monitoring for underground energy storage technologies.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153521"},"PeriodicalIF":8.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077126","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}
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