Pub Date : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.345
Sara Wallinger, Nik Zielonka, Jan-Philipp Sasse, Evelina Trutnevyte
This study analyses the spatial distribution of hydrogen demand for industry feedstock, high-temperature process heat, heavy-duty goods transport, shipping and aviation in Switzerland and then cost-optimizes coupled electricity and hydrogen systems at a high spatial and temporal resolution in 2035 and 2050. Three scenarios of how hydrogen markets could develop are considered: Hydrogen economy, Hydrogen as a niche, and Midway. The results show that hydrogen in Switzerland can be fully provided from renewable electricity, best in regions with hydropower or wind power and near hydrogen demand sites. Hydrogen has only marginal potential though for re-conversion as electricity storage or for replacing natural gas in combustion plants. As hydrogen storage in compressed tanks is not cost-effective in Switzerland, intermediate storage in hydrogen transport trucks as well as hydrogen export to neighbouring countries with underground storage are favourable. Under conservative assumptions of hydrogen import costs, Switzerland could be a competitive hydrogen exporter.
{"title":"Spatially-resolved optimisation of coupled hydrogen and electricity systems: Abundant and niche hydrogen scenarios in Switzerland","authors":"Sara Wallinger, Nik Zielonka, Jan-Philipp Sasse, Evelina Trutnevyte","doi":"10.1016/j.ijhydene.2025.03.345","DOIUrl":"10.1016/j.ijhydene.2025.03.345","url":null,"abstract":"<div><div>This study analyses the spatial distribution of hydrogen demand for industry feedstock, high-temperature process heat, heavy-duty goods transport, shipping and aviation in Switzerland and then cost-optimizes coupled electricity and hydrogen systems at a high spatial and temporal resolution in 2035 and 2050. Three scenarios of how hydrogen markets could develop are considered: <em>Hydrogen economy</em>, <em>Hydrogen as a niche</em>, and <em>Midway</em>. The results show that hydrogen in Switzerland can be fully provided from renewable electricity, best in regions with hydropower or wind power and near hydrogen demand sites. Hydrogen has only marginal potential though for re-conversion as electricity storage or for replacing natural gas in combustion plants. As hydrogen storage in compressed tanks is not cost-effective in Switzerland, intermediate storage in hydrogen transport trucks as well as hydrogen export to neighbouring countries with underground storage are favourable. Under conservative assumptions of hydrogen import costs, Switzerland could be a competitive hydrogen exporter.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 96-110"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.339
Yao Chen , Xuefei Liu , Gaofu Liu , Gang Wang , Degui Wang , Mingqiang Liu , Yan Wu , Zhen Wang , Abuduwayiti Aierken , Xuan Chen , Changsong Gao , Jinshun Bi , Wei Deng , Xuemin Zhang , Wenting Li , Yanghua Luo , Wentao Liang , Wenjun Xiao
Motivated by the effectiveness of carbon-based material catalysts in electrocatalytic reactions, we developed 55 M1M2-N4-Grs configurations (where M1, M2 = Sc to Zn) utilizing the novel graphene allotrope, Graphsene. These catalysts were evaluated for their catalytic performance in the oxygen reduction reaction and oxygen evolution reaction using density functional theory calculations. Several catalytic structures can be benchmarked against IrO2 (110) and Pt (111). Notably, the Cu sites of CuCu–N4-Grs complexe manifest robust bifunctional activity, with overpotentials of 0.50/0.47 V for OER/ORR. Detailed electronic structure analysis reveals that Ti, Mn and Cu synergistically modulate the d-band center of catalytic site, and underscores the limitations of the d-band center as well as the integrated crystal orbital Hamilton population. A charge redistribution effect induced by surface reconstruction was found to further enhance the adsorption behavior of intermediates. Bader charge analysis identified the electronic gain of the ∗OH intermediate as crucial for catalytic activity. This study highlights the pivotal role of synergistic enhancement by bimetallic atomic sites and surface reconstruction in boosting catalytic performance, offering a theoretical framework for the development of efficient, non-precious metal bifunctional electrocatalysts.
{"title":"Revealing the role of surface reconstruction and charge redistribution in M1M2-N4-Grs for bifunctional oxygen electrocatalysts","authors":"Yao Chen , Xuefei Liu , Gaofu Liu , Gang Wang , Degui Wang , Mingqiang Liu , Yan Wu , Zhen Wang , Abuduwayiti Aierken , Xuan Chen , Changsong Gao , Jinshun Bi , Wei Deng , Xuemin Zhang , Wenting Li , Yanghua Luo , Wentao Liang , Wenjun Xiao","doi":"10.1016/j.ijhydene.2025.03.339","DOIUrl":"10.1016/j.ijhydene.2025.03.339","url":null,"abstract":"<div><div>Motivated by the effectiveness of carbon-based material catalysts in electrocatalytic reactions, we developed 55 M1M2-N4-Grs configurations (where M1, M2 = Sc to Zn) utilizing the novel graphene allotrope, Graphsene. These catalysts were evaluated for their catalytic performance in the oxygen reduction reaction and oxygen evolution reaction using density functional theory calculations. Several catalytic structures can be benchmarked against IrO<sub>2</sub> (110) and Pt (111). Notably, the Cu sites of CuCu–N4-Grs complexe manifest robust bifunctional activity, with overpotentials of 0.50/0.47 V for OER/ORR. Detailed electronic structure analysis reveals that Ti, Mn and Cu synergistically modulate the d-band center of catalytic site, and underscores the limitations of the d-band center as well as the integrated crystal orbital Hamilton population. A charge redistribution effect induced by surface reconstruction was found to further enhance the adsorption behavior of intermediates. Bader charge analysis identified the electronic gain of the ∗OH intermediate as crucial for catalytic activity. This study highlights the pivotal role of synergistic enhancement by bimetallic atomic sites and surface reconstruction in boosting catalytic performance, offering a theoretical framework for the development of efficient, non-precious metal bifunctional electrocatalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 31-41"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716238","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.178
Wei Liu , Ting Xue , Nawal Abdalla Adam , Ahola Jero , Hao Yang
China faces mounting pressure to transition from a fossil fuel-dependent economy to a low-carbon, sustainable energy system while maintaining robust economic growth. This study explores the integration of alkaline water electrolysis and biomass gasification as a dual-pathway strategy to advance China's hydrogen economy. The primary objective is to assess the technical feasibility, economic potential, and environmental impact of combining these two hydrogen production methods. Empirical analysis reveals that (1) China could utilize over 700 million tons of annual agricultural and organic waste for biomass gasification, producing up to 25 million tons of hydrogen per year; (2) integrating alkaline water electrolysis powered by renewable energy could further supply 20 million tons of green hydrogen annually; (3) the combined approach can reduce carbon emissions by over 200 million tons CO₂-equivalent each year; (4) lifecycle cost assessments show that hydrogen from biomass and electrolysis can become cost-competitive with grey hydrogen by 2035 under supportive policies; and (5) regional pilot projects in provinces like Sichuan and Inner Mongolia demonstrate the scalability of this integrated model. These findings suggest that a biomass-electrolysis hybrid approach could significantly enhance China’s energy security, support rural economic development, and accelerate its pathway toward carbon neutrality by 2060. Targeted policy interventions are urgently required to support R&D, scale infrastructure, and implement green hydrogen certification frameworks to realize this vision..
{"title":"Hydrogen economy in China: Integrating biomass for renewable ernergy transition and economic growth","authors":"Wei Liu , Ting Xue , Nawal Abdalla Adam , Ahola Jero , Hao Yang","doi":"10.1016/j.ijhydene.2025.03.178","DOIUrl":"10.1016/j.ijhydene.2025.03.178","url":null,"abstract":"<div><div>China faces mounting pressure to transition from a fossil fuel-dependent economy to a low-carbon, sustainable energy system while maintaining robust economic growth. This study explores the integration of alkaline water electrolysis and biomass gasification as a dual-pathway strategy to advance China's hydrogen economy. The primary objective is to assess the technical feasibility, economic potential, and environmental impact of combining these two hydrogen production methods. Empirical analysis reveals that (1) China could utilize over 700 million tons of annual agricultural and organic waste for biomass gasification, producing up to 25 million tons of hydrogen per year; (2) integrating alkaline water electrolysis powered by renewable energy could further supply 20 million tons of green hydrogen annually; (3) the combined approach can reduce carbon emissions by over 200 million tons CO₂-equivalent each year; (4) lifecycle cost assessments show that hydrogen from biomass and electrolysis can become cost-competitive with grey hydrogen by 2035 under supportive policies; and (5) regional pilot projects in provinces like Sichuan and Inner Mongolia demonstrate the scalability of this integrated model. These findings suggest that a biomass-electrolysis hybrid approach could significantly enhance China’s energy security, support rural economic development, and accelerate its pathway toward carbon neutrality by 2060. Targeted policy interventions are urgently required to support R&D, scale infrastructure, and implement green hydrogen certification frameworks to realize this vision..</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 171-188"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725857","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.332
Navid Kousheshi , Ata Chitsaz , Mortaza yari , Ali Saberi Mehr
This research examines a cohesive system that integrates Solid Oxide Fuel Cells (SOFC) fuelled by biogas, a Calcium Looping (CaL) CO2 collecting mechanism, and a thermochemical hydrogen generation unit. The system is designed to create energy, sequester CO2, and synthesise methanol and Dimethyl Ether (DME) as useful byproducts. We examine the efficiency, CO2 collection capability, and economic feasibility of this decentralised biogas power plant using a thermodynamic and techno-economic study. Our results demonstrate that the SOFC system attains a net electrical efficiency of 56.6 % in independent operation. Nevertheless, the incorporation of the CaL and hydrogen production units diminishes this efficiency to 20.9 %, indicative of the energy requirements for CO2 collection and fuel generation operations. The CaL system exhibited CO2 collection efficiencies ranging from 76 % to 99 %, correlating with enhanced synthesis of methanol and DME at elevated capture rates. At a CO2 capture efficiency of 99 %, the system generates 1273.4 kg of methanol and 458.4 kg of DME for each megawatt-hour of energy produced. The techno-economic research indicated that capital expenditure is primarily influenced by the SOFC system (43 %) and CaL unit (30 %), whilst methanol and DME production represent 9 % and 13 % of the investment, respectively. Operational expenditure is mostly influenced by fuel and raw material expenses, accounting for 48 % of the total. This integrated system exhibits the capacity to markedly decrease CO2 emissions while generating renewable fuels, presenting a feasible alternative for decentralised, sustainable energy production.
{"title":"Synergistic methanol and DME production via thermochemical hydrogen and calcium looping CO2 capture in decentralised biogas-fuelled power plants","authors":"Navid Kousheshi , Ata Chitsaz , Mortaza yari , Ali Saberi Mehr","doi":"10.1016/j.ijhydene.2025.03.332","DOIUrl":"10.1016/j.ijhydene.2025.03.332","url":null,"abstract":"<div><div>This research examines a cohesive system that integrates Solid Oxide Fuel Cells (SOFC) fuelled by biogas, a Calcium Looping (CaL) CO<sub>2</sub> collecting mechanism, and a thermochemical hydrogen generation unit. The system is designed to create energy, sequester CO<sub>2</sub>, and synthesise methanol and Dimethyl Ether (DME) as useful byproducts. We examine the efficiency, CO<sub>2</sub> collection capability, and economic feasibility of this decentralised biogas power plant using a thermodynamic and techno-economic study. Our results demonstrate that the SOFC system attains a net electrical efficiency of 56.6 % in independent operation. Nevertheless, the incorporation of the CaL and hydrogen production units diminishes this efficiency to 20.9 %, indicative of the energy requirements for CO<sub>2</sub> collection and fuel generation operations. The CaL system exhibited CO2 collection efficiencies ranging from 76 % to 99 %, correlating with enhanced synthesis of methanol and DME at elevated capture rates. At a CO<sub>2</sub> capture efficiency of 99 %, the system generates 1273.4 kg of methanol and 458.4 kg of DME for each megawatt-hour of energy produced. The techno-economic research indicated that capital expenditure is primarily influenced by the SOFC system (43 %) and CaL unit (30 %), whilst methanol and DME production represent 9 % and 13 % of the investment, respectively. Operational expenditure is mostly influenced by fuel and raw material expenses, accounting for 48 % of the total. This integrated system exhibits the capacity to markedly decrease CO<sub>2</sub> emissions while generating renewable fuels, presenting a feasible alternative for decentralised, sustainable energy production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"120 ","pages":"Pages 584-600"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143715146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Clathrate-hydrate-based H2 separation is superior to conventional separation methods in terms of energy consumption, but the criteria for selecting promoters that facilitate stable hydrate formation and gas separation are unclear. We conducted continuous and batch separation experiments in a CO2 + H2 + cyclopentanone (CP-one) system and powder X-ray diffraction (PXRD) measurements of the hydrate formed in this system. While the mole fraction of H2 in the gas phase increased from 0.60 to 0.90 in continuous separation, CO2 in the hydrate phase remained at 0.90. PXRD measurements revealed that CO2 + H2 + cyclopentanone hydrate possesses the structure II hydrate, suggesting CO2 and CP-one encapsulation in small and large cages of hydrate. Compared to previous studies using tetrahydropyran and cyclopentane as guest compounds, CP-one with high water solubility facilitated kinetics of the hydrate, encapsulation of CO2 in the hydrate and more stable separation. This study would provide a comprehensive understanding of selecting guest compounds for hydrate-based separation.
{"title":"Hydrate-based continuous hydrogen gas separation from mixing gas containing carbon dioxide with cyclopentanone","authors":"Leo Kamiya , Ryonosuke Kasai , Satoshi Takeya , Ryo Ohmura","doi":"10.1016/j.ijhydene.2025.03.307","DOIUrl":"10.1016/j.ijhydene.2025.03.307","url":null,"abstract":"<div><div>Clathrate-hydrate-based H<sub>2</sub> separation is superior to conventional separation methods in terms of energy consumption, but the criteria for selecting promoters that facilitate stable hydrate formation and gas separation are unclear. We conducted continuous and batch separation experiments in a CO<sub>2</sub> + H<sub>2</sub> + cyclopentanone (CP-one) system and powder X-ray diffraction (PXRD) measurements of the hydrate formed in this system. While the mole fraction of H<sub>2</sub> in the gas phase increased from 0.60 to 0.90 in continuous separation, CO<sub>2</sub> in the hydrate phase remained at 0.90. PXRD measurements revealed that CO<sub>2</sub> + H<sub>2</sub> + cyclopentanone hydrate possesses the structure II hydrate, suggesting CO<sub>2</sub> and CP-one encapsulation in small and large cages of hydrate. Compared to previous studies using tetrahydropyran and cyclopentane as guest compounds, CP-one with high water solubility facilitated kinetics of the hydrate, encapsulation of CO<sub>2</sub> in the hydrate and more stable separation. This study would provide a comprehensive understanding of selecting guest compounds for hydrate-based separation.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 111-117"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716169","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.341
A. Sanna , K.P. Reddy , C. Emehel , G. Bagnato , I. Barba Nieto , J.W. Bos , J.A. Rodriguez
Integrated CO2 capture and conversion (ICCC) by hydrogenation is a promising strategy to utilize carbon dioxide and this work add to the effort to elucidate the catalytic hydrogenation mechanism using Ru based dual functional materials (DFM). Ru–Na2ZrO3 DFMs, obtained through different wet methods, were evaluated for the first time and the relationship between Ru and support systematically investigated. The thermally stable and cyclable Ru–Na2ZrO3-a (obtained without filtration step) exhibited CO2 conversion of 80 % and a higher yield of CO at 400 °C compared to previously tested DFM, while the Na depleted/Zr rich Ru–Na2ZrO3-b resulted in 90 % selectivity to CH4 with yield of 1.11 mmol/g at the same temperature. The in-situ experiments have provided conclusive evidence showing that CO2 hydrogenation on the two Ru DFMs is fundamentally different. In Ru–Na2ZrO3-a, the monoclinic Na2ZrO3 support acted as the active centre (not as promoter) for CO2 bridging binding and hydrogenation to CH4 at the metal-support interface through associative formate pathway with limited further reduction to methane due to lack of H2 spillover from the small and well dispersed Ru NPs, which results in CO desorption. Conversely, abundant clusters of larger Ru NPs in Ru–Na2ZrO3-b, led to CH4 production due to co-existent Ru on-top direct dissociation of CO2 (preferential) and monodentate formate adsorption and further methanation. Alkali zirconates doped metals, and their synthesis method could thus play a crucial role in designing tuneable heterogeneous catalysis in C1 chemistry, which could significantly benefit the environment by lowering CO2 levels, encouraging cleaner industrial practices, supporting a circular economy, and converting waste CO2 into valuable products.
{"title":"Integrated CO2 capture and hydrogenation in presence of Ru–Na2ZrO3: An in-situ study","authors":"A. Sanna , K.P. Reddy , C. Emehel , G. Bagnato , I. Barba Nieto , J.W. Bos , J.A. Rodriguez","doi":"10.1016/j.ijhydene.2025.03.341","DOIUrl":"10.1016/j.ijhydene.2025.03.341","url":null,"abstract":"<div><div>Integrated CO<sub>2</sub> capture and conversion (ICCC) by hydrogenation is a promising strategy to utilize carbon dioxide and this work add to the effort to elucidate the catalytic hydrogenation mechanism using Ru based dual functional materials (DFM). Ru–Na<sub>2</sub>ZrO<sub>3</sub> DFMs, obtained through different wet methods, were evaluated for the first time and the relationship between Ru and support systematically investigated. The thermally stable and cyclable Ru–Na<sub>2</sub>ZrO<sub>3</sub>-a (obtained without filtration step) exhibited CO<sub>2</sub> conversion of 80 % and a higher yield of CO at 400 °C compared to previously tested DFM, while the Na depleted/Zr rich Ru–Na<sub>2</sub>ZrO<sub>3</sub>-b resulted in 90 % selectivity to CH<sub>4</sub> with yield of 1.11 mmol/g at the same temperature. The in-situ experiments have provided conclusive evidence showing that CO<sub>2</sub> hydrogenation on the two Ru DFMs is fundamentally different. In Ru–Na<sub>2</sub>ZrO<sub>3</sub>-a, the monoclinic Na<sub>2</sub>ZrO<sub>3</sub> support acted as the active centre (not as promoter) for CO<sub>2</sub> bridging binding and hydrogenation to CH<sub>4</sub> at the metal-support interface through associative formate pathway with limited further reduction to methane due to lack of H<sub>2</sub> spillover from the small and well dispersed Ru NPs, which results in CO desorption. Conversely, abundant clusters of larger Ru NPs in Ru–Na<sub>2</sub>ZrO<sub>3</sub>-b, led to CH<sub>4</sub> production due to co-existent Ru on-top direct dissociation of CO<sub>2</sub> (preferential) and monodentate formate adsorption and further methanation. Alkali zirconates doped metals, and their synthesis method could thus play a crucial role in designing tuneable heterogeneous catalysis in C<sub>1</sub> chemistry, which could significantly benefit the environment by lowering CO<sub>2</sub> levels, encouraging cleaner industrial practices, supporting a circular economy, and converting waste CO<sub>2</sub> into valuable products.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 118-131"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The development of catalytic materials for the efficient utilization of fundamental feedstocks into value-added products, along with hydrogen production, remains a vital and compelling area of research in the current landscape. Catalytic methane decomposition (CMD) offers a sustainable approach to carbon utilization and hydrogen production. This process transforms methane into valuable carbon-based materials, such as graphene, carbon nanotubes, and activated carbon, while concurrently generating hydrogen. This review article presents recent advancements in catalytic systems, focusing on metal-based and carbon-based catalysts for efficient methane cracking and reforming under mild conditions. It delves into the key factors affecting conversion efficiency and product selectivity, highlighting the dual benefits of simultaneous hydrogen production and carbon material synthesis. Additionally, the article addresses challenges related to catalyst stability, scalability, and economic viability, emphasizing strategies to advance sustainable methane-to-carbon conversion technologies. We strongly believe that the relatively unexplored area of methane valorization into solid carbon/carbonaceous materials with simultaneous hydrogen production holds great potential. It may pave the way for new advancements in materials science and sustainable catalysis, contributing to the design and development of innovative materials.
{"title":"Catalysis-driven methane conversion to carbon and hydrogen","authors":"Ganesan Sivakumar , Abhijith Karattil Suresh , Debjani Nag , Pratik Swarup Dash , Ekambaram Balaraman","doi":"10.1016/j.ijhydene.2025.03.270","DOIUrl":"10.1016/j.ijhydene.2025.03.270","url":null,"abstract":"<div><div>The development of catalytic materials for the efficient utilization of fundamental feedstocks into value-added products, along with hydrogen production, remains a vital and compelling area of research in the current landscape. Catalytic methane decomposition (CMD) offers a sustainable approach to carbon utilization and hydrogen production. This process transforms methane into valuable carbon-based materials, such as graphene, carbon nanotubes, and activated carbon, while concurrently generating hydrogen. This review article presents recent advancements in catalytic systems, focusing on metal-based and carbon-based catalysts for efficient methane cracking and reforming under mild conditions. It delves into the key factors affecting conversion efficiency and product selectivity, highlighting the dual benefits of simultaneous hydrogen production and carbon material synthesis. Additionally, the article addresses challenges related to catalyst stability, scalability, and economic viability, emphasizing strategies to advance sustainable methane-to-carbon conversion technologies. We strongly believe that the relatively unexplored area of methane valorization into solid carbon/carbonaceous materials with simultaneous hydrogen production holds great potential. It may pave the way for new advancements in materials science and sustainable catalysis, contributing to the design and development of innovative materials.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 42-69"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716166","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.300
Esraa M. El-Fawal , Ahmed M.A. El Naggar
Hydrogen as a green energy source has been increasingly emerging to decarbonize electricity production and transportation fuels, serving as a proper replacement for current fossil fuel sources. Thus, massive endeavors are done lately to develop sustainable processes for hydrogen generation. Among those methods, hydrogen production through photocatalytic aqueous reforming of methanol coupled with water splitting is considered one of the most efficient sustainable routes. In line with this methodology, the current research study introduces two novel photocatalysts (CoCe-MOF and its composite with reduced graphene oxide) for hydrogen generation from a water-methanol mixture. The textural, morphological, optical, and structural characteristics of the prepared materials were verified through various analytical techniques. Both structures revealed reasonable hydrogen productivity; however, the composite-MOF showed increased reactivity. The composition of the produced gases upon using both structures varied significantly. The explicit differences in the activities of both photocatalysts are attributed to the presence of graphene species in the composite-MOF. Statistical modeling was employed to comprehensively design the hydrogen production experiments based on preliminary experimental results that were obtained under different operating variables. A maximum hydrogen productivity of 560 mmol h−1 g−1, along with a hydrogen percentage of 60 % in the produced gas, was detected for the composite-MOF under a reaction time of 1.5 h, 4 g/L as a photocatalyst dose, and a radiation power equals 3 W cm2. Both the model predictions and practical investigations were in agreement, showing that the photocatalyst dose and operating time are the most influential parameters in the hydrogen generation process. Furthermore, the recyclability of the composite photocatalyst was evaluated over six consecutive cycles under optimized conditions, confirming its increased stability. This excellent stability demonstrates the potential of the composite-MOF for long-term hydrogen production applications, reflecting the feasibility of its usage as efficient/reusable photocatalyst.
{"title":"Hydrogen production through visible light-induced water splitting using carbon-based CoCe-MOF as novel photocatalyst","authors":"Esraa M. El-Fawal , Ahmed M.A. El Naggar","doi":"10.1016/j.ijhydene.2025.03.300","DOIUrl":"10.1016/j.ijhydene.2025.03.300","url":null,"abstract":"<div><div>Hydrogen as a green energy source has been increasingly emerging to decarbonize electricity production and transportation fuels, serving as a proper replacement for current fossil fuel sources. Thus, massive endeavors are done lately to develop sustainable processes for hydrogen generation. Among those methods, hydrogen production through photocatalytic aqueous reforming of methanol coupled with water splitting is considered one of the most efficient sustainable routes. In line with this methodology, the current research study introduces two novel photocatalysts (CoCe-MOF and its composite with reduced graphene oxide) for hydrogen generation from a water-methanol mixture. The textural, morphological, optical, and structural characteristics of the prepared materials were verified through various analytical techniques. Both structures revealed reasonable hydrogen productivity; however, the composite-MOF showed increased reactivity. The composition of the produced gases upon using both structures varied significantly. The explicit differences in the activities of both photocatalysts are attributed to the presence of graphene species in the composite-MOF. Statistical modeling was employed to comprehensively design the hydrogen production experiments based on preliminary experimental results that were obtained under different operating variables. A maximum hydrogen productivity of 560 mmol h<sup>−1</sup> g<sup>−1</sup>, along with a hydrogen percentage of 60 % in the produced gas, was detected for the composite-MOF under a reaction time of 1.5 h, 4 g/L as a photocatalyst dose, and a radiation power equals 3 W cm<sup>2</sup>. Both the model predictions and practical investigations were in agreement, showing that the photocatalyst dose and operating time are the most influential parameters in the hydrogen generation process. Furthermore, the recyclability of the composite photocatalyst was evaluated over six consecutive cycles under optimized conditions, confirming its increased stability. This excellent stability demonstrates the potential of the composite-MOF for long-term hydrogen production applications, reflecting the feasibility of its usage as efficient/reusable photocatalyst.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 79-95"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716237","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.268
Yusuf Zuntu Abdullahi , Sohail Ahmad
<div><div>Porous two-dimensional (2D) materials have the potential to be used in many energy harvesting applications, particularly carbon capture and hydrogen (H<sub>2</sub>) storage. This study is motivated by the successful synthesis of porous graphene with pyridinic nitrogen at the pore edges for carbon capture. To illustrate the potential of newly predicted CN, C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N, CN<img>Li, and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture and H<sub>2</sub> storage, we employ first-principles density functional theory (DFT) calculations. According to the stability tests, these CN, C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N, CN<img>Li, and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers are mechanically, energetically, dynamically, and thermally stable. Both Perdew–Burke–Ernzerhof (PBE) and Heyd–Scuseria–Ernzerhof (HSE06) band structure results indicate that these monolayers exhibit metallic property. Additionally, we explore the performance of CN monolayer for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule detection. The findings suggest that moderate physiosorption characterizes the interaction between CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and the CN monolayer. The CN monolayer can potentially be used as a sensing material for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule because of its considerable change in the work function and fast recovery time. Also, the performance of CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers has been explore for H<sub>2</sub> storage. It is revealed that single Li adsorption makes CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li surfaces well-suited for considerable number of H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules uptake. Precisely, the CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li structures can store up to 30H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules with an average E<span><math><msub><mrow></mrow><mrow><mi>a</mi></mrow></msub></math></span> values of -0.17 and -0.13 eV/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, respectively. The H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule storage capacities of CN<img>Li@H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li@H<span><math><msub
{"title":"Porous tetra-graphene-like carbon nitride (CN) monolayer for hydrogen storage and CO2 detection","authors":"Yusuf Zuntu Abdullahi , Sohail Ahmad","doi":"10.1016/j.ijhydene.2025.03.268","DOIUrl":"10.1016/j.ijhydene.2025.03.268","url":null,"abstract":"<div><div>Porous two-dimensional (2D) materials have the potential to be used in many energy harvesting applications, particularly carbon capture and hydrogen (H<sub>2</sub>) storage. This study is motivated by the successful synthesis of porous graphene with pyridinic nitrogen at the pore edges for carbon capture. To illustrate the potential of newly predicted CN, C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N, CN<img>Li, and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture and H<sub>2</sub> storage, we employ first-principles density functional theory (DFT) calculations. According to the stability tests, these CN, C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N, CN<img>Li, and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers are mechanically, energetically, dynamically, and thermally stable. Both Perdew–Burke–Ernzerhof (PBE) and Heyd–Scuseria–Ernzerhof (HSE06) band structure results indicate that these monolayers exhibit metallic property. Additionally, we explore the performance of CN monolayer for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule detection. The findings suggest that moderate physiosorption characterizes the interaction between CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and the CN monolayer. The CN monolayer can potentially be used as a sensing material for CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule because of its considerable change in the work function and fast recovery time. Also, the performance of CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li monolayers has been explore for H<sub>2</sub> storage. It is revealed that single Li adsorption makes CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li surfaces well-suited for considerable number of H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules uptake. Precisely, the CN<img>Li and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li structures can store up to 30H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules with an average E<span><math><msub><mrow></mrow><mrow><mi>a</mi></mrow></msub></math></span> values of -0.17 and -0.13 eV/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, respectively. The H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule storage capacities of CN<img>Li@H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<img>Li@H<span><math><msub","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 150-157"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725861","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 : 2025-03-28DOI: 10.1016/j.ijhydene.2025.03.303
Hongfei Jiang , Ruirui Wang , Hanhua Liu , Qianqian Liu , Miao Cheng , Wujun Ma , Jing Hu , Tao Wei , Zeda Meng , Bo Liu , Muzi Chen , Wanfei Li
Fabricating efficient electrocatalysts for water splitting through recycling ternary (LiNi1-x-yMnxCoyO2) cathodes of spent lithium-ion batteries (LIBs) is promising and sustainable, however, the relative reasonable phase composition and microstructure still need be explored. Herein, a composite material composed of multi-heterogeneous Ni4N/Co5.47N/MnO nanoparticles coupled with porous carbon fibers was fabricated through a direct carbothermal reduction process of waste LiNi0.5Mn0.2Co0.3O2 (NCM523) cathodes material dispersed into nitrogenous spinning precursor. Interestingly, this optimized material obtained at 800 °C (NCM523@CF-800) possesses abundant Ni4N/Co5.47N/MnO multi-heterostructure, endowing it with multifaceted advantages as electrocatalysts for oxygen evolution reaction (OER). Specifically, the unique structural features of multi-heterostructure promote the transfer of electrons/charges on the interface, and highly enhance the reaction kinetics. Additionally, during OER process, because of the protection of carbon matrix, Ni4N/Co5.47N/MnO has the mere surface reconstruction and forms the real active oxygen-containing species especial NiOOH. And the maintained core of Ni4N/Co5.47N/MnO provides high conductivity for the formed active oxygen-containing species. As a result, the optimized NCM523@CF-800 employed as OER electrocatalyst in water electrolysis only require 271 mV to deliver a current density of 10 mA cm−2 in 1 M KOH. Meanwhile, an excellent stability of 140 h can be achieved under high current density of about 160 mA cm−2. This work may pave the way for the rapid and efficient recycling and utilization of spent battery electrode materials.
{"title":"Recycling spent ternary cathodes into multi-heterogeneous Ni4N/Co5.47N/MnO composite catalysts enable efficient oxygen evolution reaction","authors":"Hongfei Jiang , Ruirui Wang , Hanhua Liu , Qianqian Liu , Miao Cheng , Wujun Ma , Jing Hu , Tao Wei , Zeda Meng , Bo Liu , Muzi Chen , Wanfei Li","doi":"10.1016/j.ijhydene.2025.03.303","DOIUrl":"10.1016/j.ijhydene.2025.03.303","url":null,"abstract":"<div><div>Fabricating efficient electrocatalysts for water splitting through recycling ternary (LiNi<sub>1-x-y</sub>Mn<sub>x</sub>Co<sub>y</sub>O<sub>2</sub>) cathodes of spent lithium-ion batteries (LIBs) is promising and sustainable, however, the relative reasonable phase composition and microstructure still need be explored. Herein, a composite material composed of multi-heterogeneous Ni<sub>4</sub>N/Co<sub>5.47</sub>N/MnO nanoparticles coupled with porous carbon fibers was fabricated through a direct carbothermal reduction process of waste LiNi<sub>0.5</sub>Mn<sub>0.2</sub>Co<sub>0.3</sub>O<sub>2</sub> (NCM523) cathodes material dispersed into nitrogenous spinning precursor. Interestingly, this optimized material obtained at 800 °C (NCM523@CF-800) possesses abundant Ni<sub>4</sub>N/Co<sub>5.47</sub>N/MnO multi-heterostructure, endowing it with multifaceted advantages as electrocatalysts for oxygen evolution reaction (OER). Specifically, the unique structural features of multi-heterostructure promote the transfer of electrons/charges on the interface, and highly enhance the reaction kinetics. Additionally, during OER process, because of the protection of carbon matrix, Ni<sub>4</sub>N/Co<sub>5.47</sub>N/MnO has the mere surface reconstruction and forms the real active oxygen-containing species especial NiOOH. And the maintained core of Ni<sub>4</sub>N/Co<sub>5.47</sub>N/MnO provides high conductivity for the formed active oxygen-containing species. As a result, the optimized NCM523@CF-800 employed as OER electrocatalyst in water electrolysis only require 271 mV to deliver a current density of 10 mA cm<sup>−2</sup> in 1 M KOH. Meanwhile, an excellent stability of 140 h can be achieved under high current density of about 160 mA cm<sup>−2</sup>. This work may pave the way for the rapid and efficient recycling and utilization of spent battery electrode materials.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"121 ","pages":"Pages 22-30"},"PeriodicalIF":8.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716165","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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