Sustainable Energy & Fuels最新文献_第5页

Facet-defect coupling in CuO catalysts boosts ammonia oxidation kinetics CuO催化剂的面缺陷耦合促进氨氧化动力学

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-14 DOI: 10.1039/D6SE00071A

Mengyuan Zhao, Shaohan Liang, Junhui Liang, Jiahui Hou, Jiangchao Lou, Xin Yao, Huayu Chen, Feng Zhou, Huaizhou Jin and Da Chen

{"title":"Facet-defect coupling in CuO catalysts boosts ammonia oxidation kinetics","authors":"Mengyuan Zhao, Shaohan Liang, Junhui Liang, Jiahui Hou, Jiangchao Lou, Xin Yao, Huayu Chen, Feng Zhou, Huaizhou Jin and Da Chen","doi":"10.1039/D6SE00071A","DOIUrl":"https://doi.org/10.1039/D6SE00071A","url":null,"abstract":"The ammonia oxidation reaction (AOR) activity of transition metal oxides is strongly influenced by exposed facets and surface defects; however, their cooperative roles remain insufficiently understood. Herein, we combine a ligand-assisted synthesis strategy with hydrogenation treatment to introduce oxygen vacancies into CuO catalysts with distinct exposed facets, including (020), (002)/(111), and (110), and systematically investigate their influence on AOR performance. Structural and electrochemical analyses reveal that oxygen vacancies alone do not necessarily enhance catalytic activity, whereas their combination with specific exposed facets, particularly (002)/(111), leads to markedly improved AOR performance. Quantitative product analysis further indicates that facet exposure favors N2 formation, while oxygen vacancies promote the generation of oxidized nitrogen species such as NO2− and NO3−, suggesting distinct roles of the surface structure and defect sites in determining reaction pathways. Benefiting from the combined influence of surface atomic arrangements and oxygen vacancies, the CuO–SC–AH catalyst achieves a current density of 10 mA cm−2 at 0.37 V vs. SCE, accompanied by a faradaic efficiency toward N2 exceeding 90%. These results suggest that the interplay between exposed facets and oxygen vacancies contributes to enhanced catalytic performance. This study provides experimental insight into the combined influence of the surface structure and defects and offers guidance for the rational design of transition-metal oxide catalysts for electrochemical energy conversion.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2486-2494"},"PeriodicalIF":4.1,"publicationDate":"2026-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study of reduced states of Ce1−yFeyO2 and Ce1−yUyO2 for the thermochemical water splitting to hydrogen Ce1−yFeyO2和Ce1−yUyO2在热化学水裂解制氢过程中的还原态研究

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-14 DOI: 10.1039/D6SE00124F

Hicham Idriss

{"title":"Study of reduced states of Ce1−yFeyO2 and Ce1−yUyO2 for the thermochemical water splitting to hydrogen","authors":"Hicham Idriss","doi":"10.1039/D6SE00124F","DOIUrl":"https://doi.org/10.1039/D6SE00124F","url":null,"abstract":"Solar thermochemical water splitting (TCWS) is a promising approach for sustainable hydrogen production using concentrated solar energy. Cerium oxide (CeO2) is one of the most studied redox materials for this process due to its fast oxidation kinetics and structural stability at high temperature. However, its practical implementation remains limited by the high reduction energy required to reach significant non-stoichiometry, which restricts hydrogen yields. In this review, key fundamental aspects of ceria reduction and defect formation are discussed, with a focus on strategies to enhance reducibility through partial substitution of Ce cations by transition metals and actinides. In particular, substitution with Fe or U promotes the formation of oxygen vacancies (for different reasons, as discussed) and stabilizes reduced states, thereby increasing the extent of reduction and improving hydrogen production. Experimental and theoretical studies on Ce1−yFeyO2−δ and Ce1−yUyO2±δ are reviewed, including insights from temperature-programmed reduction, core- and valence-level X-ray photoelectron spectroscopy, and DFT+U calculations. Test reactions show, in line with spectroscopic results, that small fractions of Fe3+ or U4+ gave highest Ce3+ and TCWS reaction yields, while increasing the dopant fraction decreases the reaction yield. The correlations between reduction behavior, oxygen vacancy formation, charge-transfer phenomena, and hydrogen yields are discussed, with emphasis on the need for fundamental understanding of reduction energetics as a key factor for advancing solar thermochemical hydrogen generation.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 10","pages":" 2440-2460"},"PeriodicalIF":4.1,"publicationDate":"2026-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d6se00124f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

From hydrogen storage to fuel cells: hydrogen discharge as the next bottleneck 从储氢到燃料电池：氢放电成为下一个瓶颈

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-13 DOI: 10.1039/D6SE00139D

Swee Pin Yeap, Shuen Lam, Fei Wang, Chaomeng Dai, Kah Hon Leong, Jing Yao Sum, Siti Hamisah Tapsir, Jing Lin Ng and Swee Sen Teo

{"title":"From hydrogen storage to fuel cells: hydrogen discharge as the next bottleneck","authors":"Swee Pin Yeap, Shuen Lam, Fei Wang, Chaomeng Dai, Kah Hon Leong, Jing Yao Sum, Siti Hamisah Tapsir, Jing Lin Ng and Swee Sen Teo","doi":"10.1039/D6SE00139D","DOIUrl":"https://doi.org/10.1039/D6SE00139D","url":null,"abstract":"Advances in engineering have enabled a wide range of technologies for hydrogen generation and storage. Although hydrogen storage remains challenging in many cases, the controlled discharge of stored hydrogen to conditions suitable for fuel cell operation has emerged as the next system-level bottleneck. Here, the main challenge lies in the hydrogen storage conditions (temperature, pressure, and physical state), which differ partially from the operating requirements of fuel cells. In particular, hydrogen needs to be supplied to fuel cells in the gas phase at near-ambient pressure (∼0.5 MPa) and temperature (∼353 K). These conditions are not fully aligned with any of the existing storage forms, including compressed gas, cryogenic liquid, liquid hydrogen carriers, or solid-state storage systems. Such mismatches lead to heat losses, increased capital investment, flow rate fluctuations, system-level inefficiencies, and safety concerns. Thus, the next key question in advancing hydrogen energy is how to enable stable and controlled hydrogen release from various storage forms into fuel cells for desired electricity generation. This study presents a perspective on directions in this area for future research and development.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 11","pages":" 2608-2618"},"PeriodicalIF":4.1,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148141592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tri(ethylene glycol) divinyl ether-crosslinked gel polymer electrolyte membrane with enhanced alkaline stability and electrolyte retention for flexible zinc–air batteries 三（乙二醇）二乙烯基醚交联凝胶聚合物电解质膜，增强碱性稳定性和电解质保留，用于柔性锌空气电池

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-13 DOI: 10.1039/D6SE00051G

Vandana Kumari, Gaganjot and Monica Katiyar

{"title":"Tri(ethylene glycol) divinyl ether-crosslinked gel polymer electrolyte membrane with enhanced alkaline stability and electrolyte retention for flexible zinc–air batteries","authors":"Vandana Kumari, Gaganjot and Monica Katiyar","doi":"10.1039/D6SE00051G","DOIUrl":"https://doi.org/10.1039/D6SE00051G","url":null,"abstract":"The rapidly growing field of flexible and wearable technologies has intensified the demand for the development of sustainable and flexible energy storage systems. Flexible zinc–air batteries (FZABs) are particularly promising for next-generation wearable devices, offering a high theoretical energy density of 1086 Wh/kg. The gel polymer electrolyte (GPE) in FZABs plays a crucial role in ion transport, operational stability, and cycle life while simultaneously preventing leakage associated with aqueous electrolytes. However, most existing GPEs suffer from degradation in strong alkaline environments. In this study, a chemically robust GPE crosslinked with tri(ethylene glycol) divinyl ether (TEGDE) was synthesized via photo-polymerization and explored for the first time in high-performance FZABs. The incorporation of TEGDE as a crosslinker significantly improved the chemical stability of the membrane, owing to its alkali-stable ether linkages. We show that the performance of the GPE, in terms of alkaline uptake and ionic conductivity, can be significantly tuned by controlling the initiator, monomer, crosslinker, and filler contents. The resulting membrane exhibits excellent electrolyte uptake (389%) and retention (78% after 96 h), and remarkably high ionic conductivity (339 mS cm−1). It enables FZABs with a Co3O4 bifunctional air catalyst to run for 400 cycles over 200 hours with excellent cycling stability. Moreover, the FZABs maintain excellent performance under various bending angles, demonstrating their potential for wearable energy storage devices. These findings enhance the core understanding of structure–transport relationships in GPEs and pave the way for innovative strategies in designing high-performance membranes for FZABs.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2290-2301"},"PeriodicalIF":4.1,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High-stability and high-capacity aqueous sodium-ion battery using a high-entropy oxide cathode: intercalation vs. capacitive sodium charge storage 使用高熵氧化物阴极的高稳定性和高容量钠离子水电池：插层与电容性钠电荷存储

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-13 DOI: 10.1039/D5SE01701G

Sivasubramaniam Ragul, Kalidoss Kannadasan and Perumal Elumalai

{"title":"High-stability and high-capacity aqueous sodium-ion battery using a high-entropy oxide cathode: intercalation vs. capacitive sodium charge storage","authors":"Sivasubramaniam Ragul, Kalidoss Kannadasan and Perumal Elumalai","doi":"10.1039/D5SE01701G","DOIUrl":"https://doi.org/10.1039/D5SE01701G","url":null,"abstract":"Aqueous sodium-ion batteries are emerging as a potential battery technology due to their ease of fabrication and large-scale grid storage applications. The challenge in aqueous SIBs is achieving high stability and high capacity. In this work, a high-entropy oxide cathode, NaMn0.2Ni0.2Co0.2Fe0.2Al0.1Cu0.1O2, was generated by means of lyophilization and explored as a cathode for aqueous SIBs. Material characterizations such as powder X-ray diffraction, Raman spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDAX), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) were used to confirm the phase purity, elemental composition and morphology. The electrochemical activity of the HEO cathode examined in different electrolytes confirmed that the HEO cathode was active only in Na+-conductive electrolytes. The electrolyte engineering confirmed that the 1 M NaPF6 electrolyte was the most suitable for efficient sodium charge storage. The detailed cyclic voltammetry (CV) and Dunn's analyses confirmed that the charge storage was due to Na+ ion intercalation/deintercalation, along with a minor contribution from the capacitive mode. Consequently, a full-cell aqueous SIB in the form of CR2032 could deliver a discharge capacity of 55 mA h g−1. The laboratory prototype CR2032 coin-type aqueous SIB and pouch-type batteries were demonstrated to power commercial LED bulbs and a temperature sensor.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2256-2270"},"PeriodicalIF":4.1,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fabrication and evaluation of phosphorus-doped laser-induced graphene with tunable defects and enriched active sites for high-performance supercapacitors 高性能超级电容器中具有可调缺陷和富集活性位点的掺磷激光诱导石墨烯的制备和评价

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-13 DOI: 10.1039/D5SE01674F

Shruti Lavania, Adil Alshoaibi, Nagih M. Shaalan, Gargi Dhiman, Manas Nasit, Saurabh Dalela, P. A. Alvi, Aditya Sharma, Ranjeet Kumar Brajpuriya and Shalendra Kumar

{"title":"Fabrication and evaluation of phosphorus-doped laser-induced graphene with tunable defects and enriched active sites for high-performance supercapacitors","authors":"Shruti Lavania, Adil Alshoaibi, Nagih M. Shaalan, Gargi Dhiman, Manas Nasit, Saurabh Dalela, P. A. Alvi, Aditya Sharma, Ranjeet Kumar Brajpuriya and Shalendra Kumar","doi":"10.1039/D5SE01674F","DOIUrl":"https://doi.org/10.1039/D5SE01674F","url":null,"abstract":"Laser-induced graphene (LIG) has garnered substantial consideration in applications based on energy storage owing to its economical nature and exceptional performance as a flexible electrode material. This work presents a straightforward method for synthesising phosphorus-doped laser-induced graphene (PLIG). The synthesis comprised the formation of pure LIG, subsequent dispersion of phosphoric acid via the drop-casting technique, and re-irradiation. The multilayer structure of PLIG was confirmed via the ratio of intensities of 2D and G bands in the Raman spectrum (I2D/IG = 0.8). The presence of a peak at 2θ ∼26.07° in X-ray diffraction spectra confirms the formation of graphene. The morphological analysis was done through field emission scanning electron microscopy and high-resolution transmission electron microscopy. The occurrence of P–O and P–C in the P 2p peak's core level spectra in X-ray photoelectron spectroscopy confirms the existence of phosphorus in LIG. Furthermore, the fabricated electrode of PLIG-2 unveiled a remarkable specific capacitance (Cs) of 105 mF cm−2 at a 2 mV s−1 scan rate, employing a three-electrode system. Moreover, the symmetric supercapacitor device (Swagelok cell) obtained a Cs of 18.6 mF cm−2 at 0.011 mA cm−2 current density, and the pouch cell offers 21 mF cm−2Cs at 0.05 mA cm−2 current density, demonstrating its application as an energy storage device.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2271-2289"},"PeriodicalIF":4.1,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Light-driven hydrogen evolution reactivity of molecular thio-oxomolybdate catalysts 硫氧钼酸盐分子催化剂的光驱动析氢反应性

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-10 DOI: 10.1039/D6SE00061D

Luca T. Schleicher, S. Henriette Kolbinger, Akuila Edwards, Kristin Sellmann, Luis Senz, Stephan Kupfer, Michael Schmitt, Jürgen Popp and Carsten Streb

{"title":"Light-driven hydrogen evolution reactivity of molecular thio-oxomolybdate catalysts","authors":"Luca T. Schleicher, S. Henriette Kolbinger, Akuila Edwards, Kristin Sellmann, Luis Senz, Stephan Kupfer, Michael Schmitt, Jürgen Popp and Carsten Streb","doi":"10.1039/D6SE00061D","DOIUrl":"https://doi.org/10.1039/D6SE00061D","url":null,"abstract":"Heterogeneous molybdenum sulfides are widely used noble metal-free hydrogen evolution reaction (HER) catalysts. Thiomolybdates, their molecular analogues have been developed as viable minimal models to study reactivity at the molecular level. Here, we explore the light-driven HER reactivity and stability of the mixed thio-oxo-molybdate prototype [Mo2O2S6]2− in homogeneous solution. In combination with the photosensitizer [Ru(bpy)3]2+, [Mo2O2S6]2− shows promising HER performance (turnover number TON > 500), as well as strong reactivity dependence on the reaction conditions. Mechanistic experimental studies combined with density functional theory computations reveal complex speciation of the catalyst in solution, as well as light-induced and light-independent reaction pathways for catalyst and photosensitizer which are in line with disulfide-for-solvent ligand exchange reactions. These structure–reactivity insights outline design rules for more robust, solvent-tolerant thiomolybdate HER catalysts.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2355-2362"},"PeriodicalIF":4.1,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d6se00061d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrochemical conversion of CO2 plasmas CO2等离子体的电化学转化

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-10 DOI: 10.1039/D5SE01488C

Haytham E. M. Hussein, Panagiotis N. Kechagiopoulos and Angel Cuesta

{"title":"Electrochemical conversion of CO2 plasmas","authors":"Haytham E. M. Hussein, Panagiotis N. Kechagiopoulos and Angel Cuesta","doi":"10.1039/D5SE01488C","DOIUrl":"https://doi.org/10.1039/D5SE01488C","url":null,"abstract":"The integration of non-thermal CO2 plasma (NTP) with a custom-designed electrolyte-gap electrolyser and CuO catalysts represents an innovative strategy to enhance the electrochemical conversion of CO2 into C1–C3 products. Systematic galvanostatic experiments conducted at current densities ranging from 100 to 225 mA cm−2 demonstrated that plasma-on operation significantly reduces cell voltages (by up to ∼1.3 V) and that product selectivity transitions from C1 species (CO and methane) to C2+ products, including ethylene, ethanol, acetate, propylene, and propanol. While CO and H2 predominate under plasma-off conditions, with limited formation of C2 products, the hybrid plasma–electrochemical system increases the faradaic efficiency (FE) for ethylene up to 39.5% and ethanol up to 18.1%. These enhancements are attributed to plasma-generated reactive species (radicals and excited-state molecules) that lower kinetic barriers for C–C coupling and modify the interfacial pH, thereby reducing parasitic carbonate/bicarbonate losses. The plasma-on state resulted in a statistically significant increase in liquid product carbon efficiency, from an average of ∼0.41% during plasma-off experiments to ∼0.91% during plasma-on experiments. Although the system currently exhibits lower overall energy efficiency owing to the power demands of the plasma discharge, this work establishes a robust framework for flexible product tuning and sustainable carbon utilisation via plasma-activated feeds.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2327-2343"},"PeriodicalIF":4.1,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d5se01488c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrating density functional theory and machine learning for mechanical performance prediction of perovskite oxygen carriers in chemical looping combustion 基于密度泛函理论和机器学习的钙钛矿氧载体化学环燃烧力学性能预测

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-09 DOI: 10.1039/D6SE00322B

Shenglong Teng, Xinyv Li, Yv Qiu and Dewang Zeng

{"title":"Integrating density functional theory and machine learning for mechanical performance prediction of perovskite oxygen carriers in chemical looping combustion","authors":"Shenglong Teng, Xinyv Li, Yv Qiu and Dewang Zeng","doi":"10.1039/D6SE00322B","DOIUrl":"https://doi.org/10.1039/D6SE00322B","url":null,"abstract":"Chemical looping combustion (CLC) is an emerging combustion technology that has attracted increasing attention in the field of energy conversion due to its high efficiency, inherent CO2 separation capability, and low NOx emissions. In CLC systems, oxygen carriers play a critical role in heat and mass transfer, and their mechanical performance has a decisive impact on service lifetime and overall reaction performance. However, existing machine learning approaches for oxygen carrier design predominantly focus on reaction-related properties, while the lack of quantitative prediction methods for mechanical performance continues to result in high development costs. In this work, the bulk modulus is proposed as a key descriptor for evaluating the mechanical performance of oxygen carriers, and a combined first-principles calculation and machine learning framework is developed for mechanical property prediction. Over 4000 perovskite candidate materials were first generated based on valence-state and space-group combinations, and mechanically stable structures were screened using the Born stability criteria. Bulk moduli were then calculated and correlated with material hardness to establish a structure–mechanical property relationship. Subsequently, multiple machine learning models were trained to predict the bulk modulus of oxygen carriers, among which the random forest (RF) model achieved the best performance with R2 of 0.94. Finally, experimental validation via scanning electron microscopy and nanoindentation measurements confirmed that perovskite oxygen carriers such as LaCoO3, LaNiO3, and CaTiO3 exhibit bulk moduli exceeding 240 GPa, demonstrating excellent mechanical performance.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2302-2313"},"PeriodicalIF":4.1,"publicationDate":"2026-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Self-standing porous intermetallic Fe3Mn7 phase as a bifunctional electrocatalyst towards efficient overall water splitting 独立多孔金属间Fe3Mn7相作为高效整体水分解的双功能电催化剂

IF 4.1 3区材料科学

Sustainable Energy & Fuels Pub Date : 2026-04-08 DOI: 10.1039/D6SE00159A

Yan Wen, Yu Cao, Yufei Ren and Zhen Huo

{"title":"Self-standing porous intermetallic Fe3Mn7 phase as a bifunctional electrocatalyst towards efficient overall water splitting","authors":"Yan Wen, Yu Cao, Yufei Ren and Zhen Huo","doi":"10.1039/D6SE00159A","DOIUrl":"https://doi.org/10.1039/D6SE00159A","url":null,"abstract":"The urgent need for efficient, stable, and noble-metal-free electrocatalysts for overall water splitting drives the exploration of intermetallic compounds. Herein, a three-dimensional nanoporous electrode D-MnNiFe-30 featuring a bicontinuous pore-ligament architecture and primarily composed of the Fe3Mn7 intermetallic phase is fabricated via controlled chemical dealloying. This integration of a permeable nanoporous network with a well-defined intermetallic compound facilitates efficient mass/charge transport and stabilizes active sites. The resulting electrode demonstrates outstanding bifunctional activity in alkaline media, with low overpotentials of 32 mV for the HER and 329 mV for the OER at 10 mA cm−2. When assembled into a symmetric electrolyzer, it achieves 100 mA cm−2 at 1.65 V under industrially relevant conditions and exhibits excellent long-term stability. Density functional theory (DFT) calculations reveal that the pristine Fe3Mn7 surface exhibits strong adsorption of key intermediates, limiting its intrinsic activity. The remarkable experimental performance is therefore attributed to a synergistic enhancement from the defect-rich nanocrystalline nature within the porous framework, which modulates adsorption energetics, coupled with the advantageous mass transport morphology. This work provides a practical dealloying route to high-performance self-supported electrodes and elucidates the critical synergy between defect engineering within an intermetallic phase and a nanoporous architecture for efficient water splitting.","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 9","pages":" 2363-2372"},"PeriodicalIF":4.1,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147826981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0